SCHEMBL27501129

SCHEMBL27501129

CS(=O)(=O)c1c(-c2ccccc2)ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc(F)c(CN)c2)c1F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 6/20 0.57
▸ F10 P00742 14/20 0.57
▸ F2 P00734 10/20 0.57
▸ PRSS1 P07477 7/20 0.57
▸ PRSS2 P07478 6/20 0.57
▸ PRSS3 P35030 6/20 0.57
▸ PROC P04070 4/20 0.57
▸ F9 P00740 3/20 0.57
▸ KLK1 P06870 1/20 0.57
▸ CFH P08603 1/20 0.56
▸ CARM1 Q86X55 1/20 0.51
▸ PLAU P00749 1/20 0.50
▸ CTRB1 P17538 1/20 0.50

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
SCHEMBL31678809 0.88 KLKB1 (0.70) KLKB1F10F2PRSS1PRSS2
SCHEMBL27536938 0.88 KLKB1 (0.70) KLKB1F10F2PRSS1PRSS2
SCHEMBL27519105 0.86 F10 (0.51) KLKB1F10F2PRSS1PRSS2
SCHEMBL27519261 0.78 F2 (0.58) KLKB1F10F2PRSS1PRSS2
SCHEMBL29286939 0.78 F10 (0.58) KLKB1F10F2PRSS1PRSS2
SCHEMBL29286937 0.78 KLKB1 (0.58) KLKB1F10F2PRSS1PRSS2
SCHEMBL27499211 0.77 F2 (0.57) KLKB1F10F2PRSS1PRSS2
SCHEMBL27499212 0.77 F2 (0.56) KLKB1F10F2PRSS1PRSS2
SCHEMBL27528955 0.74 F2 (0.53) KLKB1F10F2PRSS1PRSS2
SCHEMBL4586256 0.74 KLKB1 (0.65) KLKB1F10CARM1

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
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 — — CN claimed
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 — — CN disclosed
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