SCHEMBL2419952

SCHEMBL2419952

O=C(NCc1cccs1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.74
▸ PKM P14618 2/20 0.70
▸ HPGD P15428 7/20 0.65
▸ TP53 P04637 1/20 0.65
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HTT P42858 2/20 0.58
▸ ALDH1A1 P00352 5/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ POLB P06746 2/20 0.57
▸ LMNA P02545 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ USP2 O75604 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL18108746 0.83 THRB (0.55) THRBPKMHPGDTP53CYP1A2
SCHEMBL2314054 0.82 THRB (0.70) THRBPKMHPGDTP53HTT
SCHEMBL27807378 0.81 HPGD (0.76) THRBPKMHPGDTP53HTT
SCHEMBL27944155 0.80 PKM (0.64) THRBPKMHPGDTP53HTT
SCHEMBL13753167 0.80 RAB9A (0.68) THRBPKMHPGDTP53HTT
SCHEMBL13753177 0.80 RAB9A (0.68) THRBPKMHPGDTP53HTT
SCHEMBL29818326 0.79 HPGD (0.68) THRBHPGDHTTALDH1A1MEN1
SCHEMBL31396768 0.79 HPGD (0.68) THRBPKMHPGDTP53HTT
SCHEMBL1083633 0.79 MEN1 (0.77) HPGDCYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL3650142 0.78 THRB (0.64) THRBPKMHPGDTP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012995-B1 Pharmaceutically active sulfonamide derivatives MERCK SERONO SA (CH) 2011-09-06 — — US disclosed
EP-1218374-B1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2005-11-16 — — EP disclosed
CN-1189467-C Pharmaceutically active sulfonamide derivatives APPLIED RES SYSTEM ARS HOLDING (AN) 2005-02-16 — — CN disclosed
CN-1377347-A Pharmaceutically active sulfonamide derivatives APPLIED RESEARCH SYSTEMS (NL) 2002-10-30 — — CN disclosed
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 — — EP disclosed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 — — WO disclosed
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