SCHEMBL7410061

SCHEMBL7410061

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H](Cc2ccccc2)Nc2cccc(C(=N)NO)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.53
USP30 Q70CQ3 15/20 0.47
MAPT P10636 1/20 0.44
PRSS1 P07477 1/20 0.42

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
SCHEMBL7403509 0.88 F10 (0.67) F10PRSS1
SCHEMBL7401213 0.83 F10 (0.40) F10PRSS1
SCHEMBL7084793 0.80 F10 (0.41) F10PRSS1
SCHEMBL7056535 0.77 PRSS1 (0.42) F10PRSS1
SCHEMBL6993750 0.76 FPR2 (0.42) F10USP30PRSS1
SCHEMBL6995330 0.76 F10 (0.42) F10USP30PRSS1
SCHEMBL7076640 0.75 F10 (0.41) F10PRSS1
SCHEMBL7409027 0.75 F10 (0.60) F10PRSS1
SCHEMBL6375140 0.75 USP30 (0.56) F10USP30
SCHEMBL6381183 0.75 USP30 (0.56) F10USP30

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
WO-2002030880-A2 N-SUBSTITUTED AMINO ACID DERIVATIVES (FACTOR XA INHIBITORS) MERCK PATENT GMBH (DE) 2002-04-18 WO claimed
WO-2002030880-A2 N-SUBSTITUTED AMINO ACID DERIVATIVES (FACTOR XA INHIBITORS) MERCK PATENT GMBH (DE) 2002-04-18 WO disclosed