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Sugi Predict / Compounds / SCHEMBL6995018

SCHEMBL6995018

SCHEMBL6995018

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)OC2(Nc3cccc(C(=N)N)c3)CCSCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.49
▸ F2 P00734 6/20 0.49
▸ PRSS1 P07477 10/20 0.49
▸ PRSS2 P07478 4/20 0.49
▸ PRSS3 P35030 4/20 0.49
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL6992218 0.93 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6995007 0.91 F10 (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL6995380 0.91 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL6992976 0.90 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6988979 0.90 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL6988355 0.85 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL7087805 0.84 KDR (0.41) F10
SCHEMBL6995249 0.83 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6996086 0.83 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6989196 0.83 F10 (0.57) F10F2PRSS1PRSS2PRSS3

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