SCHEMBL7538848

SCHEMBL7538848

O=C(Nc1cccc(Cl)c1)c1sccc1NS(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.52
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
GPR27 Q9NS67 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
PTBP1 P26599 1/20 0.44
HPGD P15428 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 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
SCHEMBL7537394 0.93 SLC10A2 (0.53) ACLYHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL7534376 0.92 L3MBTL1 (0.52) ACLYHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL7538739 0.89 MEN1 (0.49) ACLYHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL7534822 0.88 HTT (0.51) ACLYHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL7533623 0.88 ACLY (0.55) ACLYHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL7531893 0.88 HTT (0.50) ACLYHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL7532675 0.87 ACLY (0.52) ACLYHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL7538051 0.87 HTT (0.49) ACLYHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL7531361 0.86 L3MBTL1 (0.53) ACLYHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL7531845 0.86 HTT (0.47) ACLYHTTL3MBTL1CYP1A2CYP3A4

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