SCHEMBL6433028

SCHEMBL6433028

COc1cccc2c1c(C(N)=O)c(C(=O)OCc1ccc(C#N)cc1)n2Cc1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.44
PLK1 P53350 1/20 0.41
F10 P00742 3/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
USP14 P54578 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL6435691 0.96 PLA2G2A (0.44) PLA2G2APLK1F10GRIN1GRIN2B
SCHEMBL6440154 0.88 F10 (0.42) PLA2G2APLK1F10GRIN1GRIN2B
SCHEMBL6436680 0.84 PLA2G2A (0.41) PLA2G2APLK1F10GRIN1GRIN2B
Hydrochloric Acid SCHEMBL6434386 0.81 F10 (0.55) PLA2G2AF10
SCHEMBL6436700 0.81 F10 (0.51) F10KLKB1KLK1
SCHEMBL6433278 0.79 PLA2G2A (0.45) PLA2G2APLK1F10GRIN1GRIN2B
SCHEMBL6436902 0.79 F10 (0.47) F10KLKB1KLK1POLB
SCHEMBL6438711 0.77 PIK3R1 (0.44) F10GRIN1GRIN2BKLKB1KLK1
SCHEMBL6432965 0.70 F10 (0.66) F10GRIN1GRIN2BKLKB1KLK1
SCHEMBL6433700 0.69 CCR2 (0.54) F10GRIN1GRIN2B

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