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Sugi Predict / Compounds / SCHEMBL6997573

SCHEMBL6997573

SCHEMBL6997573

N=C(N)c1cccc(C(=O)NC2(OC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)CCS(=O)(=O)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.59
▸ PRSS1 P07477 6/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ PLG P00747 1/20 0.55
▸ PROC P04070 1/20 0.55
▸ F2 P00734 1/20 0.53
▸ KCNH2 Q12809 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
SCHEMBL6993647 0.90 F10 (0.59) F10PRSS1PRSS2PRSS3PLG
SCHEMBL6995645 0.90 F10 (0.59) F10PRSS1PRSS2PRSS3PLG
SCHEMBL6989196 0.89 F10 (0.57) F10PRSS1PRSS2PRSS3F2
SCHEMBL7000352 0.87 F10 (0.55) F10PRSS1PRSS2PRSS3F2
SCHEMBL7084423 0.86 F10 (0.65) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7081117 0.83 F10 (0.64) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7081963 0.82 F10 (0.63) F10PRSS1PRSS2PRSS3PLG
SCHEMBL6993018 0.81 F10 (0.47) F10PRSS1PRSS2PRSS3F2
SCHEMBL7077463 0.80 F10 (0.62) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7082534 0.80 F10 (0.62) F10PRSS1PRSS2PRSS3PLG

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