SCHEMBL7531362

SCHEMBL7531362

O=C(Nc1ccc(Cl)cc1)c1ccsc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
GPR27 Q9NS67 11/20 0.56
AVPR2 P30518 3/20 0.56
ACLY P53396 1/20 0.55
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC10A2 Q12908 1/20 0.50
SLC10A1 Q14973 1/20 0.50
SLC10A6 Q3KNW5 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL7532994 0.81 GPR27 (0.49) KMT2AMEN1GPR27AVPR2KDM4E
SCHEMBL7539025 0.81 MEN1 (0.62) KMT2AMEN1GPR27AVPR2ACLY
SCHEMBL7533594 0.79 KMT2A (0.74) KMT2AACLYKDM4ECYP3A4PTGS1
SCHEMBL7530840 0.78 MEN1 (0.62) KMT2AMEN1GPR27AVPR2KDM4E
Hydrochloric Acid SCHEMBL7533502 0.77 KMT2A (0.72) KMT2AACLYKDM4ECYP3A4PTGS1
SCHEMBL7537998 0.75 PGR (0.55) KMT2AMEN1GPR27AVPR2ACLY
SCHEMBL7531717 0.74 KMT2A (1.00) KMT2AMEN1ACLYKDM4ECYP3A4
SCHEMBL31078116 0.74 GPR27 (0.70) KMT2AMEN1GPR27AVPR2
SCHEMBL28310266 0.74 LMNA (0.49) KMT2AMEN1GAAMAPT
SCHEMBL7537677 0.74 KMT2A (0.59) KMT2AMEN1GPR27AVPR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed