SCHEMBL5144993

SCHEMBL5144993

Cc1ccc(S(=O)(=O)NCC(c2cccc(C#N)c2)C(C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.59
CNR2 P34972 16/20 0.59
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 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 0.96 CNR1 (0.63) CNR1CNR2
SCHEMBL5142896 0.90 CNR1 (0.64) CNR1CNR2
SCHEMBL5145441 0.89 CNR1 (0.56) CNR1CNR2TP53GAAMAPT
SCHEMBL5146784 0.89 CNR1 (0.65) CNR1CNR2
SCHEMBL5145114 0.89 CNR1 (0.58) CNR1CNR2
SCHEMBL5180672 0.87 CNR1 (0.67) CNR1CNR2
SCHEMBL5145371 0.84 CNR1 (0.66) CNR1CNR2
SCHEMBL5146863 0.83 CNR1 (0.67) CNR1CNR2
SCHEMBL5145240 0.82 CNR1 (0.67) CNR1CNR2
SCHEMBL5143569 0.80 CNR1 (0.66) 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