Sugi Predict

Sugi Predict / Compounds / SCHEMBL6986718

SCHEMBL6986718

SCHEMBL6986718

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.60
▸ PRSS1 P07477 11/20 0.56
▸ PRSS2 P07478 4/20 0.56
▸ PRSS3 P35030 4/20 0.56
▸ F2 P00734 4/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ PLG P00747 1/20 0.53
▸ PROC P04070 1/20 0.53
▸ F9 P00740 1/20 0.53

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
SCHEMBL6996107 0.99 F10 (0.62) F10PRSS1PRSS2PRSS3F2
SCHEMBL7000040 0.87 F10 (0.63) F10PRSS1PRSS2PRSS3F2
SCHEMBL6988953 0.86 F10 (0.69) F10PRSS1PRSS2PRSS3F2
SCHEMBL6986181 0.86 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL6991314 0.85 F10 (0.71) F10PRSS1PRSS2PRSS3F2
SCHEMBL6990138 0.79 PRSS1 (0.54) F10PRSS1PRSS2PRSS3F2
SCHEMBL7078167 0.78 F10 (0.58) F10PRSS1PRSS2PRSS3F2
SCHEMBL6996683 0.78 F10 (0.53) F10PRSS1PRSS2PRSS3F2
SCHEMBL6988107 0.78 F10 (0.55) F10PRSS1PRSS2PRSS3F2
SCHEMBL6991785 0.78 F10 (0.54) 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 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