SCHEMBL6992168

SCHEMBL6992168

CCC1Oc2ccc(C(NC)c3cccs3)cc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 2/20 0.37
THRB P10828 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL6991124 0.92 L3MBTL1 (0.41) HSD17B10USP2GAAL3MBTL1MAPK1
SCHEMBL6998255 0.86 PARP1 (0.45) L3MBTL1PARP1
SCHEMBL7713262 0.76 USP2 (0.37) HSD17B10USP2GAAL3MBTL1TP53
SCHEMBL6992162 0.72 PARP1 (0.55) HSD17B10USP2GAAL3MBTL1MAPK1
SCHEMBL6992164 0.70 HSD17B10 (0.43) HSD17B10USP2GAAL3MBTL1MAPK1
SCHEMBL6999246 0.69 PARP1 (0.48) USP2GAAPARP1
SCHEMBL7711370 0.69 L3MBTL1 (0.37) HSD17B10USP2GAAL3MBTL1MAPK1
SCHEMBL23571859 0.69 USP2 (0.65) HSD17B10USP2GAATP53THRB
SCHEMBL29823082 0.69 USP2 (0.65) HSD17B10USP2GAATP53THRB
SCHEMBL23534259 0.68 L3MBTL1 (0.49) HSD17B10USP2GAAL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed