SCHEMBL29286939

SCHEMBL29286939

CS(=O)(=O)c1c(-c2ccccc2)ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)nn2-c2cccc(CN)c2)c1F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.58
PRSS1 P07477 9/20 0.58
PRSS2 P07478 9/20 0.58
PRSS3 P35030 9/20 0.58
F2 P00734 8/20 0.58
F9 P00740 2/20 0.58
PROC P04070 2/20 0.58
KLK1 P06870 1/20 0.58
KLKB1 P03952 11/20 0.57
CFH P08603 1/20 0.57
CARM1 Q86X55 1/20 0.49

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
SCHEMBL29286937 0.90 KLKB1 (0.58) F10PRSS1PRSS2PRSS3F2
SCHEMBL31678809 0.89 KLKB1 (0.70) F10PRSS1PRSS2PRSS3F2
SCHEMBL27536938 0.89 KLKB1 (0.70) F10PRSS1PRSS2PRSS3F2
SCHEMBL27519261 0.86 F2 (0.58) F10PRSS1PRSS2PRSS3F2
SCHEMBL27499211 0.86 F2 (0.57) F10PRSS1PRSS2PRSS3F2
SCHEMBL27499212 0.85 F2 (0.56) F10PRSS1PRSS2PRSS3F2
SCHEMBL27528955 0.82 F2 (0.53) F10PRSS1PRSS2PRSS3F2
SCHEMBL27500723 0.78 F10 (0.57) F10PRSS1PRSS2PRSS3F2
SCHEMBL27501129 0.78 KLKB1 (0.57) F10PRSS1PRSS2PRSS3F2
SCHEMBL3052253 0.73 F10 (1.00) F10PRSS1PRSS2PRSS3F2

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
CN-113307772-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-08-27 CN disclosed