SCHEMBL14176239

SCHEMBL14176239

COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c(C(=O)NCC(=O)NCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.70
F2 P00734 8/20 0.70
PRSS1 P07477 5/20 0.65
PRSS2 P07478 4/20 0.65
PRSS3 P35030 4/20 0.65
CARM1 Q86X55 3/20 0.65
PROC P04070 3/20 0.60
F9 P00740 2/20 0.60
KLK1 P06870 1/20 0.60
KLKB1 P03952 2/20 0.59
CFH P08603 1/20 0.59

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
SCHEMBL14176284 0.95 F10 (0.74) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176248 0.95 F10 (0.67) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176264 0.94 F10 (0.69) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176216 0.94 F10 (0.69) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176217 0.93 F10 (0.67) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176262 0.92 F10 (0.71) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176279 0.92 F10 (0.71) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176260 0.91 F10 (0.70) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176225 0.91 F10 (0.65) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176255 0.90 F10 (0.67) F10F2PRSS1PRSS2PRSS3

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