SCHEMBL27536938

SCHEMBL27536938

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.70
F10 P00742 6/20 0.70
PRSS1 P07477 6/20 0.70
PRSS2 P07478 6/20 0.70
PRSS3 P35030 6/20 0.70
F2 P00734 5/20 0.70
F9 P00740 2/20 0.70
PROC P04070 2/20 0.70
KLK1 P06870 1/20 0.70
CFH P08603 1/20 0.69
CARM1 Q86X55 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
SCHEMBL31678809 1.00 KLKB1 (0.70) KLKB1F10PRSS1PRSS2PRSS3
SCHEMBL27519261 0.90 F2 (0.58) KLKB1F10PRSS1PRSS2PRSS3
SCHEMBL27499211 0.89 F2 (0.57) KLKB1F10PRSS1PRSS2PRSS3
SCHEMBL29286939 0.89 F10 (0.58) KLKB1F10PRSS1PRSS2PRSS3
SCHEMBL29286937 0.89 KLKB1 (0.58) KLKB1F10PRSS1PRSS2PRSS3
SCHEMBL27501129 0.88 KLKB1 (0.57) KLKB1F10PRSS1PRSS2PRSS3
SCHEMBL27499212 0.88 F2 (0.56) KLKB1F10PRSS1PRSS2PRSS3
SCHEMBL27528955 0.85 F2 (0.53) KLKB1F10PRSS1PRSS2PRSS3
SCHEMBL31067656 0.82 F10 (1.00) KLKB1F10PRSS1PRSS2PRSS3
SCHEMBL29825652 0.82 F10 (1.00) KLKB1F10PRSS1PRSS2PRSS3

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 5 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-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
CN-113307772-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-08-27 CN disclosed
CN-106257976-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-02-02 CN disclosed
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 CN disclosed