SCHEMBL6433343

SCHEMBL6433343

COc1cccc2c1c(C(N)=O)c(C(=O)OC(c1ccccc1)c1ccncc1)n2Cc1cccc(C(N)=S)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.49
PLA2G2A P14555 15/20 0.46
PLA2G1B P04054 3/20 0.38
PLA2G10 O15496 2/20 0.37
PLA2G5 P39877 2/20 0.37
PLA2G2E Q9NZK7 2/20 0.37
PLA2G2F Q9BZM2 1/20 0.37
PLA2G2D Q9UNK4 1/20 0.37

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
SCHEMBL6433278 0.87 PLA2G2A (0.45) F10PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL6433340 0.73 F10 (0.85) F10
SCHEMBL6436680 0.72 PLA2G2A (0.41) F10PLA2G2A
Hydrochloric Acid SCHEMBL6434386 0.70 F10 (0.55) F10PLA2G2A
SCHEMBL6435208 0.69 F10 (0.71) F10PLA2G10
SCHEMBL28742466 0.69 F10 (0.47) F10
SCHEMBL6435201 0.69 F10 (0.81) F10
SCHEMBL6433741 0.68 F10 (0.61) F10
SCHEMBL6435752 0.68 F10 (0.53) F10
SCHEMBL6433028 0.67 PLA2G2A (0.44) F10PLA2G2A

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-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