SCHEMBL6433052

SCHEMBL6433052

NC(=S)c1cccc(Cn2c(C(=O)O)cc3cc(N)ccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.63
CCR2 P41597 9/20 0.63
F2 P00734 3/20 0.60
PLA2G10 O15496 1/20 0.57
GPR35 Q9HC97 1/20 0.48

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
SCHEMBL27497454 0.87 PLA2G10 (0.74) F10CCR2F2PLA2G10GPR35
SCHEMBL15712747 0.84 CCR2 (0.74) F10CCR2GPR35
SCHEMBL6432795 0.83 F10 (0.68) F10CCR2F2PLA2G10
Trifluoroacetic Acid SCHEMBL6436682 0.83 F10 (0.84) F10F2
Trifluoroacetic Acid SCHEMBL6432601 0.81 F10 (0.77) F10F2
SCHEMBL6433082 0.80 CCR2 (0.78) F10CCR2F2PLA2G10GPR35
SCHEMBL3963187 0.78 PLA2G10 (0.83) F10CCR2F2PLA2G10GPR35
SCHEMBL6433920 0.78 F10 (0.67) F10F2
SCHEMBL27718927 0.77 CCR2 (0.58) F10CCR2F2
SCHEMBL6433216 0.76 F10 (0.78) F10CCR2F2PLA2G10

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