SCHEMBL6501038

SCHEMBL6501038

CN(Cc1nccn1-c1ccc(NC(=O)c2cc(S(C)(=O)=O)nn2-c2ccc(F)c(C#N)c2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.49
F2 P00734 9/20 0.40
F9 P00740 2/20 0.40
CTRB1 P17538 2/20 0.40
F5 P12259 1/20 0.40
PROC P04070 1/20 0.40
GRM4 Q14833 1/20 0.35
AR P10275 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
SCHEMBL7073683 0.85 F10 (0.53) F10F2GRM4
SCHEMBL7073679 0.85 F10 (0.43) F10F2GRM4AR
SCHEMBL6501405 0.83 F10 (0.51) F10
SCHEMBL6494562 0.80 F10 (0.61) F10F2F9CTRB1F5
SCHEMBL6500690 0.73 AR (0.44) AR
SCHEMBL6491855 0.73 F10 (0.46) F10F2
SCHEMBL6493981 0.70 F10 (0.64) F10F2F9CTRB1F5
SCHEMBL8357787 0.70 F10 (0.57) F10F2F9CTRB1F5
SCHEMBL6502113 0.70 F10 (0.71) F10F2F9CTRB1F5
SCHEMBL6501532 0.69 ALDH1A1 (0.39) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed