SCHEMBL3366540

SCHEMBL3366540

COc1ccc(S(=O)(=O)N(CC(=O)N[N+](O)=Cc2ccccc2)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.56
HCRTR1 O43613 1/20 0.56
HCRTR2 O43614 1/20 0.56
OXTR P30559 2/20 0.54
PTGER1 P34995 2/20 0.54
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
PKM P14618 1/20 0.51
AVPR1A P37288 1/20 0.51
GAA P10253 2/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL3399456 0.85 OXTR (0.56) OXTRMAPTKMT2AMEN1AVPR1A
SCHEMBL3369096 0.76 OXTR (0.74) HCRTR1HCRTR2OXTRMAPTKMT2A
SCHEMBL3366536 0.76 OXTR (0.74) HCRTR1HCRTR2OXTRMAPTKMT2A
SCHEMBL3367233 0.75 TP53 (0.59) TP53HCRTR1HCRTR2OXTRPTGER1
SCHEMBL16557491 0.72 MAPT (0.66) TP53HCRTR1HCRTR2OXTRMAPT
SCHEMBL3366502 0.72 POLB (0.51) TP53HCRTR1HCRTR2OXTRPTGER1
SCHEMBL3366498 0.72 POLB (0.51) TP53HCRTR1HCRTR2OXTRPTGER1
SCHEMBL14107550 0.71 PKM (0.61) TP53HCRTR1HCRTR2MAPTKMT2A
SCHEMBL3367782 0.71 SMN1; SMN2 (0.51) OXTRPTGER1MAPTPKMAVPR1A
SCHEMBL3366546 0.70 TP53 (0.49) TP53HCRTR1HCRTR2OXTRPTGER1

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