SCHEMBL7532778

SCHEMBL7532778

O=C(Nc1cccc(Cl)c1)c1sccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC20A2 Q08357 1/20 0.54
SLC20A1 Q8WUM9 1/20 0.54
CCR2 P41597 1/20 0.52
IDH2 P48735 3/20 0.50
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
HTT P42858 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
GAA P10253 2/20 0.48
IDH1 O75874 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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 0.93 HTT (0.49) SLC20A2SLC20A1CCR2IDH2CYP1A2
SCHEMBL7537253 0.93 IDH2 (0.54) SLC20A2SLC20A1CCR2IDH2HTT
SCHEMBL7530790 0.91 SLC20A2 (0.65) SLC20A2SLC20A1CCR2CYP1A2CYP3A4
SCHEMBL7531807 0.89 SLC20A2 (0.53) SLC20A2SLC20A1CCR2IDH2HTT
SCHEMBL7537394 0.87 SLC10A2 (0.53) CYP1A2CYP3A4CYP2C19HTTCYP2D6
SCHEMBL7533632 0.87 HTT (0.46) SLC20A2SLC20A1IDH2CYP1A2CYP3A4
SCHEMBL7533623 0.87 ACLY (0.55) IDH2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL7534822 0.85 HTT (0.51) IDH2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL7533744 0.85 SLC20A2 (0.58) SLC20A2SLC20A1CCR2HTTL3MBTL1
SCHEMBL7531893 0.84 HTT (0.50) IDH2CYP1A2CYP3A4CYP2C19HTT

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