SCHEMBL5676591

SCHEMBL5676591

COc1cc(Nc2ccccc2)ccc1[N+]#N.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 2/20 0.41
SNCA P37840 2/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALDH1A1 P00352 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Sulfuric Acid SCHEMBL1123017 0.89 PPARG (0.44) KMT2AMEN1GAAL3MBTL1SNCA
Sulfuric Acid SCHEMBL6929881 0.88 PPARG (0.43) KMT2AMEN1GAAL3MBTL1SNCA
Sulfuric Acid SCHEMBL5698877 0.87 MEN1 (0.45) KMT2AMEN1L3MBTL1SNCAPPARG
SCHEMBL6846716 0.87 MEN1 (0.40) KMT2AMEN1GAAL3MBTL1PPARG
Sulfuric Acid SCHEMBL6357625 0.84 MEN1 (0.47) KMT2AMEN1SNCAPPARGPPARD
SCHEMBL92096 0.84 MEN1 (0.47) KMT2AMEN1L3MBTL1HPGDPPARG
SCHEMBL1764456 0.84 PPARG (0.43) KMT2AMEN1SNCAPPARGPPARD
Trifluoromethanesulfonic Acid SCHEMBL11060685 0.84 PPARG (0.41) KMT2AMEN1L3MBTL1SNCAPPARG
Hydrochloric Acid SCHEMBL8080600 0.83 MEN1 (0.46) KMT2AMEN1L3MBTL1HPGDPPARG
Bromide SCHEMBL9172630 0.83 MEN1 (0.46) KMT2AMEN1L3MBTL1HPGDPPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421447-A4 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID KODAK POLYCHROME GRAPHICS LLC (US) 2006-09-06 EP claimed
US-7056639-B2 Imageable composition containing an infrared absorber with counter anion derived from a non-volatile acid EASTMAN KODAK COMPANY (US) 2006-06-06 US claimed
US-6921620-B2 Acid curable composition of an acid generator; an infrared absorber; and optional colorant KODAK POLYCHROME GRAPHICS LLC (US) 2005-07-26 US claimed
US-20050079439-A1 Imageable composition containing an infrared absorber with counter anion derived from a non-volatile acid KODAK POLYCHROME GRAPHICS LLC (US) 2005-04-14 US claimed
US-6806020-B2 PRINTING PLATE PATTERNS; MIXTURE OF ACID, ACID GENERATOR AND ACID CURABLE COMPOUND KODAK POLYCHROME GRAPHICS LLC 2004-10-19 US claimed
EP-1421447-A1 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID Kodak Polychrome Graphics LLC (US) 2004-05-26 EP claimed
US-20030194635-A1 Isocyanate crosslinked imageable compositions KODAK POLYCHROME GRAPHICS, L.L.C. 2003-10-16 US claimed
US-20030129526-A1 Containing acid curable polymer, acid generator and infrared radiation absorberr KODAK POLYCHROME GRAPHICS, L.L.C. 2003-07-10 US claimed
US-20030113655-A1 Acid curable composition of an acid generator; an infrared absorber; and optional colorant KODAK POLYCHROME GRAPHICS, L.L.C 2003-06-19 US claimed
US-20030082474-A1 Printing plate patterns; mixture of acid, acid generator and acid curable compound KODAK POLYCHROME GRAPHICS, L.L.C 2003-05-01 US claimed
WO-2003019293-A1 NEGATIVE WORKING IMAGEABLE COMPOSITION CONTAINING SULFONIC ACID KODAK POLYCHROME GRAPHICS, L.L.C. (US) 2003-03-06 WO claimed
WO-2003019294-A1 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID KODAK POLYCHROME GRAPHICS, L.L.C. (US) 2003-03-06 WO claimed
EP-1421447-A4 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID KODAK POLYCHROME GRAPHICS LLC (US) 2006-09-06 EP disclosed
US-7056639-B2 Imageable composition containing an infrared absorber with counter anion derived from a non-volatile acid EASTMAN KODAK COMPANY (US) 2006-06-06 US disclosed
EP-1656551-A1 LEAK DETECTION METHOD USING MICROENCAPSULATED DYE PRECURSOR Honeywell International Inc. (US) 2006-05-17 EP disclosed
US-6921620-B2 Acid curable composition of an acid generator; an infrared absorber; and optional colorant KODAK POLYCHROME GRAPHICS LLC (US) 2005-07-26 US disclosed
US-20030113655-A1 Acid curable composition of an acid generator; an infrared absorber; and optional colorant KODAK POLYCHROME GRAPHICS, L.L.C 2003-06-19 US disclosed
US-20030082474-A1 Printing plate patterns; mixture of acid, acid generator and acid curable compound KODAK POLYCHROME GRAPHICS, L.L.C 2003-05-01 US disclosed
WO-2003019293-A1 NEGATIVE WORKING IMAGEABLE COMPOSITION CONTAINING SULFONIC ACID KODAK POLYCHROME GRAPHICS, L.L.C. (US) 2003-03-06 WO disclosed
WO-2003019294-A1 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID KODAK POLYCHROME GRAPHICS, L.L.C. (US) 2003-03-06 WO disclosed