SCHEMBL474643

SCHEMBL474643

Cc1n(C)c2ccccc2[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
ALDH1A1 P00352 7/20 0.40
HBB P68871 3/20 0.39
GPR3 P46089 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL10577364 0.78 KMT2A (0.54) KDM4ETP53SMN1; SMN2KMT2AMEN1
SCHEMBL1049324 0.77 ERAP1 (0.50) KDM4EKMT2AMEN1ALDH1A1GPR3
SCHEMBL12325228 0.76 MAPT (0.38) KDM4EKMT2AMEN1ALDH1A1HSD17B10
Water SCHEMBL21823213 0.75 ERAP1 (0.49) KDM4EKMT2AMEN1ALDH1A1GPR3
Iodide SCHEMBL9134481 0.75 PTPN1 (0.50) KDM4EALDH1A1GPR3ERAP1MAPT
SCHEMBL25911892 0.75 GPR3 (0.38) KDM4ETP53ALDH1A1GPR3HSD17B10
SCHEMBL17510192 0.75 KDM4E (0.41) KDM4ETP53SMN1; SMN2KMT2AMEN1
SCHEMBL3457693 0.72 KDM4E (0.49) KDM4ETP53SMN1; SMN2KMT2AMEN1
SCHEMBL11529605 0.71 KCNH2 (0.35) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7250788 0.71 ERAP1 (0.49) KDM4EALDH1A1GPR3ERAP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-9287052-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
US-20130292601-A1 Additives for Dye-Sensitized Solar Cells MERCK PATENT GMBH (DE) 2013-11-07 US disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
EP-2411365-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010108903-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed