SCHEMBL2873247

SCHEMBL2873247

Nc1nc(C(=O)O)c(Br)s1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 9/20 0.49
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
FBP1 P09467 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
SCHEMBL4253876 0.83 COPS5 (0.40) COPS5ALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL26851680 0.83 COPS5 (0.38) COPS5ALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL30440870 0.79 ALDH1A1 (0.34) COPS5ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL1549089 0.76 ALDH1A1 (0.54) ALDH1A1CYP1A2HSD17B10KDM4EHPGD
SCHEMBL12186535 0.76 ALDH1A1 (0.46) COPS5ALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL1970147 0.74 RAB9A (0.38) COPS5ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10710850 0.74 ALDH1A1 (0.44) COPS5ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3060689 0.74 NOS1 (0.48) COPS5ALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL2487227 0.74 COPS5 (0.44) COPS5ALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL5317539 0.74 COPS5 (0.41) COPS5ALDH1A1CYP1A2HSD17B10KDM4E

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
CN-105870514-A Storage battery electrolyte and storage battery thereof 盐城工学院 2016-08-17 CN claimed
CN-101277946-B Heterocyclylamide-substituted thiazoles, pyrroles and thiophenes AICURIS GMBH & CO KG 2013-01-02 CN disclosed
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO disclosed
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO disclosed
CN-101277946-A Heterocyclylamide-substituted thiazoles, pyrroles and thiophenes BAYER HEALTHCARE AG (DE) 2008-10-01 CN disclosed
CN-1143958-A (4,4-difluorobut-3-enylthio-)-substituted heterocyclic or carbocyclic ring compounds ZENECA LTD (GB) 1997-02-26 CN disclosed