SCHEMBL14176273

SCHEMBL14176273

CCCNC(=O)CCNC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.70
F2 P00734 8/20 0.70
CARM1 Q86X55 3/20 0.60
PRSS1 P07477 5/20 0.56
PRSS2 P07478 4/20 0.56
PRSS3 P35030 4/20 0.56
PROC P04070 3/20 0.56
F9 P00740 2/20 0.56
KLK1 P06870 1/20 0.56
KLKB1 P03952 2/20 0.56
CFH P08603 1/20 0.56

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
SCHEMBL14176261 0.95 F10 (0.70) F10F2CARM1PRSS1PRSS2
SCHEMBL14176259 0.94 F10 (0.69) F10F2CARM1PRSS1PRSS2
SCHEMBL14176279 0.94 F10 (0.71) F10F2CARM1PRSS1PRSS2
SCHEMBL14176267 0.93 F10 (0.68) F10F2CARM1PRSS1PRSS2
SCHEMBL14176216 0.93 F10 (0.69) F10F2CARM1PRSS1PRSS2
SCHEMBL14176265 0.91 F10 (0.69) F10F2CARM1PRSS1PRSS2
SCHEMBL14176266 0.91 F10 (0.68) F10F2CARM1PRSS1PRSS2
SCHEMBL14176218 0.90 F10 (0.66) F10F2CARM1PRSS1PRSS2
SCHEMBL14176236 0.90 F10 (0.64) F10F2CARM1PRSS1PRSS2
SCHEMBL14176270 0.90 F10 (0.66) F10F2CARM1PRSS1PRSS2

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
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed