SCHEMBL6991124

SCHEMBL6991124

CCCC1Oc2ccc(C(NC)c3cccs3)cc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 2/20 0.36
THRB P10828 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6992168 0.92 HSD17B10 (0.38) L3MBTL1MAPK1HSD17B10USP2GAA
SCHEMBL6998255 0.84 PARP1 (0.45) L3MBTL1
SCHEMBL7711370 0.77 L3MBTL1 (0.37) L3MBTL1MAPK1BRD4HSD17B10USP2
SCHEMBL6991112 0.73 PARP1 (0.53) L3MBTL1MAPK1BRD4HSD17B10USP2
SCHEMBL6991119 0.71 MAPK1 (0.42) L3MBTL1MAPK1BRD4HSD17B10USP2
SCHEMBL7713262 0.69 USP2 (0.37) L3MBTL1HSD17B10USP2GAATP53
SCHEMBL4821188 0.69 PARP1 (0.58) L3MBTL1MAPK1BRD4HSD17B10USP2
SCHEMBL6999246 0.68 PARP1 (0.48) USP2GAA
SCHEMBL2163564 0.67 L3MBTL1 (0.51) L3MBTL1MAPK1BRD4HSD17B10USP2
SCHEMBL7711398 0.67

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