SCHEMBL6436680

SCHEMBL6436680

COc1cccc2c1c(C(N)=O)c(C(=O)OCCc1ccncc1)n2Cc1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.41
POLB P06746 1/20 0.39
PLK1 P53350 1/20 0.39
BUB1 O43683 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
F10 P00742 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6440154 0.91 F10 (0.42) PLA2G2APOLBPLK1GRIN1GRIN2B
SCHEMBL6433028 0.84 PLA2G2A (0.44) PLA2G2APOLBPLK1GRIN1GRIN2B
SCHEMBL6433278 0.84 PLA2G2A (0.45) PLA2G2APOLBPLK1BUB1GRIN1
SCHEMBL6435691 0.84 PLA2G2A (0.44) PLA2G2APOLBPLK1GRIN1GRIN2B
SCHEMBL6433343 0.72 F10 (0.49) PLA2G2AF10
SCHEMBL6436700 0.71 F10 (0.51) F10
SCHEMBL6436677 0.70 F10 (0.59) F10
SCHEMBL6433063 0.70 F10 (0.43) POLBBUB1F10
Hydrochloric Acid SCHEMBL6434386 0.69 F10 (0.55) PLA2G2AF10
SCHEMBL6434382 0.68 F10 (0.51) POLBBUB1F10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed