SCHEMBL3366543

SCHEMBL3366543

COc1ccc(S(=O)(=O)N(C(=Cc2ccccc2O)C(=O)NN)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.48
MAPT P10636 4/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.42
OXTR P30559 3/20 0.41
AVPR1A P37288 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NR2F2 P24468 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGER1 P34995 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3399458 0.84 OXTR (0.50) TP53MAPTOXTRAVPR1ASMN1; SMN2
SCHEMBL3366546 0.80 TP53 (0.49) TP53MAPTTHRBPKMOXTR
SCHEMBL3364023 0.74 TRPM5 (0.44) TP53MAPTTHRBPKMSMN1; SMN2
SCHEMBL3366536 0.73 OXTR (0.74) MAPTOXTRAVPR1ASMN1; SMN2ALDH1A1
SCHEMBL3369096 0.73 OXTR (0.74) MAPTOXTRAVPR1ASMN1; SMN2ALDH1A1
SCHEMBL3367784 0.70 SMN1; SMN2 (0.37) MAPTOXTRSMN1; SMN2RAB9AKMT2A
SCHEMBL5643243 0.69 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1PTGER1MEN1
SCHEMBL18546039 0.65 TP53 (0.69) TP53MAPTTHRBALDH1A1HCRTR1
SCHEMBL3366540 0.64 TP53 (0.56) TP53MAPTPKMOXTRAVPR1A
SCHEMBL3399462 0.62 KMT2A (0.45) TP53MAPTOXTRSMN1; SMN2USP2

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