SCHEMBL5145441

SCHEMBL5145441

COc1ccc(S(=O)(=O)NCC(c2cccc(C#N)c2)C(C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.56
CNR2 P34972 16/20 0.56
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL5145104 0.93 CNR1 (0.63) CNR1CNR2
SCHEMBL5144993 0.89 CNR1 (0.59) CNR1CNR2TP53GAAMAPT
SCHEMBL5142896 0.87 CNR1 (0.64) CNR1CNR2
SCHEMBL5180672 0.87 CNR1 (0.67) CNR1CNR2
SCHEMBL5146784 0.86 CNR1 (0.65) CNR1CNR2
SCHEMBL5145114 0.86 CNR1 (0.58) CNR1CNR2
SCHEMBL5145371 0.82 CNR1 (0.66) CNR1CNR2
SCHEMBL5146863 0.81 CNR1 (0.67) CNR1CNR2
SCHEMBL5145436 0.80 CNR1 (0.87) CNR1CNR2
SCHEMBL14512691 0.80 CNR1 (0.87) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663113-A4 SUBSTITUTED SULFONAMIDES MERCK & CO INC (US) 2007-06-13 EP claimed
EP-1663113-A2 SUBSTITUTED SULFONAMIDES Merck & Co., Inc. (US) 2006-06-07 EP claimed
WO-2005027837-A2 SUBSTITUTED SULFONAMIDES MERCK & CO., INC. (US) 2005-03-31 WO claimed