SCHEMBL1386482

SCHEMBL1386482

CC1CN(S(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)CC(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.45
AKR1B1 P15121 1/20 0.42
KCNH2 Q12809 1/20 0.41
CNR1 P21554 1/20 0.39
KLK1 P06870 1/20 0.39
POLB P06746 1/20 0.38
DAO P14920 1/20 0.37

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
SCHEMBL1387034 0.92 F10 (0.48) F10AKR1B1KCNH2KLK1
SCHEMBL1385219 0.85 F10 (0.43) F10AKR1B1KCNH2CNR1KLK1
SCHEMBL1386944 0.84 F10 (0.42) F10AKR1B1KCNH2CNR1KLK1
SCHEMBL1385578 0.79 F10 (0.47) F10KCNH2KLK1
SCHEMBL6421791 0.74 USP2 (0.57) F10AKR1B1CNR1KLK1POLB
SCHEMBL1385555 0.68 KCNH2 (0.53) F10KCNH2
SCHEMBL1385558 0.68 KCNH2 (0.53) F10KCNH2
SCHEMBL6111637 0.67 F10 (0.52) F10KCNH2KLK1
SCHEMBL4936109 0.66 USP2 (0.57) F10AKR1B1KLK1
SCHEMBL1307178 0.66 AKR1B1 (0.50) F10AKR1B1CNR1DAO

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 2011-12-07 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed