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Sugi Predict / Compounds / SCHEMBL6993018

SCHEMBL6993018

SCHEMBL6993018

N=C(NO)c1cccc(NC2(OC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)CCS(=O)(=O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.47
▸ PRSS1 P07477 6/20 0.47
▸ PRSS2 P07478 2/20 0.45
▸ PRSS3 P35030 2/20 0.45
▸ F2 P00734 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL6986987 0.92 F10 (0.40) F10PRSS1PRSS2PRSS3F2
SCHEMBL6989196 0.92 F10 (0.57) F10PRSS1PRSS2PRSS3F2
SCHEMBL6990880 0.90 F10 (0.47) F10PRSS1PRSS2PRSS3F2
SCHEMBL6988355 0.90 F10 (0.47) F10PRSS1PRSS2PRSS3F2
SCHEMBL6995749 0.89 F10 (0.36) F10PRSS1PRSS2PRSS3F2
SCHEMBL7080762 0.86 F10 (0.49) F10PRSS1PRSS2PRSS3F2
SCHEMBL6995007 0.82 F10 (0.40) F10PRSS1PRSS2PRSS3F2
SCHEMBL6990330 0.82 F10 (0.40) F10PRSS1PRSS2PRSS3F2
SCHEMBL6996086 0.82 F10 (0.57) F10PRSS1PRSS2PRSS3F2
SCHEMBL6995249 0.82 F10 (0.57) 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