SCHEMBL3399456

SCHEMBL3399456

O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N[N+](O)=Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXTR P30559 7/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
AVPR1A P37288 4/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL3366540 0.85 TP53 (0.56) OXTRMAPTALDH1A1AVPR1AGAA
SCHEMBL3367782 0.81 SMN1; SMN2 (0.51) OXTRMAPTALDH1A1HPGDAVPR1A
SCHEMBL24279588 0.75 OXTR (0.57) OXTRMAPTALDH1A1HPGDAVPR1A
SCHEMBL3399452 0.72 OXTR (1.00) OXTRMAPTALDH1A1HPGDAVPR1A
SCHEMBL1630305 0.72 KEAP1 (0.71) OXTRMAPTMEN1KMT2A
SCHEMBL3367904 0.71 OXTR (1.00) OXTRMAPTHPGDAVPR1AGAA
SCHEMBL10956866 0.69 NR1I2 (0.64) OXTRMAPTALDH1A1AVPR1AHTT
SCHEMBL16557466 0.68 KMT2A (0.67) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL2704489 0.68 KEAP1 (0.58) OXTRGAAMEN1KMT2AHTT
SCHEMBL1630148 0.68 HCRTR2 (0.61) OXTRALDH1A1AVPR1AMEN1KMT2A

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-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 EP disclosed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed