SCHEMBL5318640

SCHEMBL5318640

CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(O)C(c1ccc(Cl)cc1)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FLT1 P17948 5/20 0.41
FLT4 P35916 5/20 0.41
KDR P35968 5/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MMP2 P08253 3/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38

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
SCHEMBL5142857 0.71 ALDH1A1 (0.42) MEN1KMT2ALMNAL3MBTL1FLT1
SCHEMBL5585010 0.71 ALDH1A1 (0.42) MEN1KMT2ALMNAL3MBTL1FLT1
SCHEMBL5585266 0.69 CNR1 (0.41) MEN1KMT2ALMNAL3MBTL1FLT1
SCHEMBL5144983 0.69 CNR1 (0.41) MEN1KMT2ALMNAL3MBTL1FLT1
SCHEMBL5585265 0.69 CNR1 (0.41) MEN1KMT2ALMNAL3MBTL1FLT1
SCHEMBL15617658 0.68 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1FLT1FLT4
SCHEMBL5147325 0.68 CNR1 (0.73) CNR1CNR2
SCHEMBL29244487 0.67 FLT1 (0.54) FLT1FLT4KDRMMP2MMP1
SCHEMBL3192988 0.67 CYP2D6 (0.53) MEN1KMT2ALMNACNR1CNR2
SCHEMBL1287451 0.67 CYP2D6 (0.53) MEN1KMT2ALMNACNR1CNR2

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