SCHEMBL5147326

SCHEMBL5147326

CC(c1ccc(Cl)cc1)C(CNS(=O)(=O)c1ccccc1)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
TP53 P04637 7/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
GAA P10253 5/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
XBP1 P17861 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL5146880 0.88 MAPT (0.59) MAPTTP53MEN1KMT2AGAA
SCHEMBL5147423 0.87 KMT2A (0.56) MAPTTP53MEN1KMT2AGAA
SCHEMBL5146669 0.86 MEN1 (0.60) MAPTTP53MEN1KMT2AGAA
SCHEMBL5145123 0.85 PGR (0.53) MAPTTP53MEN1KMT2AGAA
SCHEMBL5147475 0.81 PGR (0.56) MAPTTP53MEN1KMT2AGAA
SCHEMBL5145213 0.81 CA1 (0.54) MAPTTP53MEN1KMT2AGAA
SCHEMBL5147402 0.80 CA1 (0.63) MAPTTP53MEN1KMT2AGAA
SCHEMBL5147483 0.79 MAPT (0.51) MAPTTP53MEN1KMT2AGAA
SCHEMBL5145104 0.79 CNR1 (0.63) CNR1CNR2
SCHEMBL5147491 0.77 CA1 (0.51) MAPTTP53MEN1KMT2AGAA

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