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Sugi Predict / Compounds / SCHEMBL6990138

SCHEMBL6990138

SCHEMBL6990138

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)O)cc1.N=C(N)c1cccc(NC2CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 8/20 0.54
▸ F2 P00734 5/20 0.54
▸ PRSS2 P07478 3/20 0.54
▸ PRSS3 P35030 3/20 0.54
▸ F10 P00742 18/20 0.53
▸ KCNH2 Q12809 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
SCHEMBL6988107 0.99 F10 (0.55) PRSS1F2PRSS2PRSS3F10
SCHEMBL7000040 0.92 F10 (0.63) PRSS1F2PRSS2PRSS3F10
SCHEMBL6986181 0.91 F10 (0.64) PRSS1F2PRSS2PRSS3F10
SCHEMBL6989579 0.90 PRSS1 (0.44) PRSS1F2PRSS2PRSS3F10
SCHEMBL6993192 0.90 F10 (0.44) PRSS1F2PRSS2PRSS3F10
SCHEMBL6999615 0.89 F10 (0.52) PRSS1F2PRSS2PRSS3F10
SCHEMBL6996683 0.83 F10 (0.53) PRSS1F2PRSS2PRSS3F10
SCHEMBL7092565 0.83 F10 (0.45) PRSS1F2PRSS2PRSS3F10
SCHEMBL6991785 0.82 F10 (0.54) PRSS1F2PRSS2PRSS3F10
SCHEMBL7087783 0.82 F10 (0.44) F10

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
EP-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 — — EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 — — WO disclosed