SCHEMBL9045758

SCHEMBL9045758

COc1ccc(NS(=O)(=O)c2ccccc2)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
MAPT P10636 3/20 0.63
PKM P14618 3/20 0.63
HTR6 P50406 2/20 0.62
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 4/20 0.58
HTT P42858 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
POLB P06746 1/20 0.54
KDM1A O60341 1/20 0.54
PGR P06401 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP17A1 P05093 2/20 0.52
GPR27 Q9NS67 1/20 0.52

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
SCHEMBL399122 0.86 LMNA (0.77) LMNAMEN1KMT2APKMHTR6
SCHEMBL9045755 0.85 CA12 (0.76) LMNAMEN1KMT2AMAPTPKM
SCHEMBL7171823 0.82 HTR6 (0.62) LMNAMEN1KMT2AMAPTPKM
SCHEMBL3409664 0.82 HTR6 (0.66) LMNAMEN1KMT2AMAPTPKM
SCHEMBL29561554 0.80 ALDH1A1 (0.73) LMNAMEN1KMT2AMAPTPKM
SCHEMBL29561902 0.80 ALDH1A1 (0.66) LMNAMEN1KMT2AMAPTPKM
SCHEMBL14880400 0.80 LMNA (0.56) LMNAMEN1KMT2AMAPTPKM
SCHEMBL11583293 0.79 MAPT (0.63) LMNAMEN1KMT2AMAPTPKM
SCHEMBL29561401 0.79 ALDH1A1 (0.65) LMNAMEN1KMT2AMAPTPKM
SCHEMBL29561116 0.79 LMNA (0.69) LMNAMEN1KMT2AMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734378-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1996-10-02 EP disclosed
WO-1995016674-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1995-06-22 WO disclosed