SCHEMBL6940573

SCHEMBL6940573

CC(=O)Nc1ccc(NC(=O)C[n+]2ccccc2)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.51
POLB P06746 3/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
BACE1 P56817 3/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
Hydrochloric Acid SCHEMBL6944452 0.99 HSP90AA1 (0.53) HSP90AA1POLBKMT2AALDH1A1L3MBTL1
SCHEMBL6944175 0.95 HSP90AA1 (0.54) HSP90AA1POLBKMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6939938 0.94 HSP90AA1 (0.56) HSP90AA1POLBKMT2AALDH1A1L3MBTL1
SCHEMBL6939800 0.92 HSP90AA1 (0.55) HSP90AA1POLBKMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6942865 0.91 HSP90AA1 (0.57) HSP90AA1POLBKMT2AALDH1A1L3MBTL1
SCHEMBL6946122 0.87 HSP90AA1 (0.54) HSP90AA1POLBKMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6941335 0.86 HSP90AA1 (0.56) HSP90AA1POLBKMT2AALDH1A1L3MBTL1
SCHEMBL6946198 0.85 HSP90AA1 (0.57) HSP90AA1POLBKMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6941279 0.84 HSP90AA1 (0.60) HSP90AA1POLBKMT2AALDH1A1L3MBTL1
SCHEMBL6945417 0.82 CXCR2 (0.54) HSP90AA1POLBKMT2AALDH1A1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed