SCHEMBL8266946

SCHEMBL8266946

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

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.74
▸ F2 P00734 5/20 0.64
▸ PRSS1 P07477 1/20 0.61
▸ PRSS2 P07478 1/20 0.61
▸ PRSS3 P35030 1/20 0.61

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
SCHEMBL5100150 0.90 F10 (0.79) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165396 0.85 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169824 0.85 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL5097161 0.84 F10 (0.79) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176283 0.83 F10 (0.80) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169081 0.83 F10 (0.84) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176284 0.81 F10 (0.74) F10F2PRSS1PRSS2PRSS3
SCHEMBL8163056 0.81 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8266608 0.80 F10 (0.58) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165136 0.79 F10 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006047528-A2 PYRAZOLOBENZAMIDES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-04 — — WO disclosed
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