SCHEMBL7533632

SCHEMBL7533632

O=C(Nc1cccc(Cl)c1)c1sccc1NS(=O)(=O)c1ccc(Br)cc1.O=C(Nc1cccc(Cl)c1)c1sccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR27 Q9NS67 5/20 0.45
AVPR2 P30518 3/20 0.45
KDM1A O60341 1/20 0.45
SLC10A2 Q12908 1/20 0.44
SLC10A1 Q14973 1/20 0.44
SLC10A6 Q3KNW5 1/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
IDH2 P48735 2/20 0.43

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
SCHEMBL7538051 0.88 HTT (0.49) HTTMEN1KMT2AMAPTNPSR1
SCHEMBL7532778 0.87 SLC20A2 (0.54) HTTMEN1KMT2AMAPTNPSR1
SCHEMBL7534376 0.85 L3MBTL1 (0.52) HTTMEN1KMT2AMAPTNPSR1
SCHEMBL7532963 0.83 CYP3A4 (0.49) HTTMEN1KMT2AMAPTNPSR1
SCHEMBL7533623 0.83 ACLY (0.55) HTTMEN1KMT2AMAPTNPSR1
SCHEMBL7533934 0.83 HTT (0.52) HTTMEN1KMT2AMAPTNPSR1
SCHEMBL7534822 0.82 HTT (0.51) HTTMEN1KMT2AMAPTNPSR1
SCHEMBL7531893 0.81 HTT (0.50) HTTMEN1KMT2AMAPTNPSR1
SCHEMBL7532028 0.81 ADORA3 (0.53) HTTMEN1KMT2AMAPTCYP1A2
SCHEMBL7534436 0.81 LMNA (0.60) HTTMEN1KMT2AMAPTNPSR1

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