SCHEMBL5669631

SCHEMBL5669631

COc1ccc(NS(=O)(=O)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.61
▸ MAPT P10636 9/20 0.60
▸ KMT2A Q03164 8/20 0.56
▸ MEN1 O00255 7/20 0.56
▸ RAB9A P51151 6/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ NPC1 O15118 5/20 0.56
▸ SNCA P37840 1/20 0.54
▸ ALOX5 P09917 1/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HTT P42858 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ MITF O75030 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ THRB P10828 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
SCHEMBL19809956 0.84 MEN1 (0.66) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL5672233 0.82 NPC1 (0.53) GAAKMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL2061754 0.81 ALOX5 (0.77) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL2633343 0.81 ALOX5 (0.77) GAAMAPTKMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL9423776 0.80 ALOX5 (0.75) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL5187445 0.80 SNCA (0.59) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL4923799 0.80 ALDH1A1 (0.78) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL11467827 0.79 GAA (0.67) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL410787 0.77 LMNA (0.68) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL13454747 0.77 KMT2A (0.65) GAAMAPTKMT2AMEN1SMN1; SMN2

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-1534284-A4 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-08-16 — — EP disclosed
EP-1534284-A2 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2005-06-01 — — EP disclosed
WO-2003072063-A2 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-09-04 — — WO disclosed
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