SCHEMBL8266608

SCHEMBL8266608

COC(=O)c1cc(OC)ccc1-n1nc(C)cc1C(=O)Nc1ccc(-c2ccccc2SC)cc1F

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.58
▸ KCNH2 Q12809 1/20 0.51
▸ F2 P00734 4/20 0.48
▸ KLK1 P06870 1/20 0.46
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45

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
SCHEMBL8266946 0.80 F10 (0.74) F10F2PRSS1PRSS2PRSS3
SCHEMBL5097161 0.77 F10 (0.79) F10F2KLK1PRSS1PRSS2
SCHEMBL8266910 0.72 GFER (0.45) F10
SCHEMBL5100150 0.71 F10 (0.79) F10F2KLK1PRSS1PRSS2
SCHEMBL8165396 0.71 F10 (1.00) F10KCNH2F2PRSS1PRSS2
SCHEMBL8169824 0.71 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8408044 0.70 F10 (0.72) F10KCNH2F2
SCHEMBL14176283 0.70 F10 (0.80) F10F2KLK1PRSS1PRSS2
SCHEMBL8166604 0.70 F10 (0.92) F10F2PRSS1PRSS2PRSS3
SCHEMBL8162813 0.70 F10 (1.00) F10KCNH2F2PRSS1PRSS2

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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