SCHEMBL3399452

SCHEMBL3399452

O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 6/20 1.00
AVPR1A P37288 3/20 0.78
MAPT P10636 4/20 0.69
ALDH1A1 P00352 3/20 0.69
HPGD P15428 3/20 0.69
GAA P10253 3/20 0.59
ATM Q13315 1/20 0.59
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
POLB P06746 3/20 0.58
KDM4E B2RXH2 2/20 0.56
USP2 O75604 1/20 0.56
PKM P14618 1/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 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
SCHEMBL3366045 0.88 OXTR (1.00) OXTRAVPR1AMAPTALDH1A1HPGD
SCHEMBL3366047 0.88 OXTR (1.00) OXTRAVPR1AMAPTALDH1A1HPGD
SCHEMBL3366536 0.85 OXTR (0.74) OXTRAVPR1AMAPTALDH1A1HPGD
SCHEMBL3369096 0.85 OXTR (0.74) OXTRAVPR1AMAPTALDH1A1HPGD
SCHEMBL3367779 0.83 OXTR (0.71) OXTRAVPR1AMAPTALDH1A1HPGD
SCHEMBL3365017 0.82 OXTR (0.85) OXTRAVPR1AMAPTALDH1A1HPGD
SCHEMBL3365010 0.82 OXTR (0.85) OXTRAVPR1AMAPTALDH1A1HPGD
SCHEMBL14349092 0.80 OXTR (0.87) OXTRAVPR1AMAPTALDH1A1HPGD
SCHEMBL3366825 0.79 OXTR (1.00) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL3366818 0.79 OXTR (1.00) OXTRAVPR1AMAPTALDH1A1KMT2A

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 4 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
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed