SCHEMBL7530790

SCHEMBL7530790

O=C(Nc1ccc(Cl)cc1)c1sccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC20A2 Q08357 1/20 0.65
SLC20A1 Q8WUM9 1/20 0.65
CCR2 P41597 1/20 0.53
KDM1A O60341 2/20 0.50
S1PR2 O95136 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
RHOC P08134 1/20 0.47
RHOA P61586 1/20 0.47
ACLY P53396 2/20 0.47
AVPR2 P30518 1/20 0.46
GPR27 Q9NS67 1/20 0.46
HSD17B2 P37059 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 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
SCHEMBL7532778 0.91 SLC20A2 (0.54) SLC20A2SLC20A1CCR2KDM1AMEN1
SCHEMBL7537253 0.90 IDH2 (0.54) SLC20A2SLC20A1CCR2MEN1KMT2A
SCHEMBL7531807 0.88 SLC20A2 (0.53) SLC20A2SLC20A1CCR2S1PR2MEN1
SCHEMBL7531650 0.87 ACLY (0.55) SLC20A2SLC20A1MEN1KMT2ARAB9A
SCHEMBL7562743 0.86 ACLY (0.52) SLC20A2SLC20A1CCR2S1PR2MEN1
SCHEMBL7533744 0.85 SLC20A2 (0.58) SLC20A2SLC20A1CCR2MEN1KMT2A
SCHEMBL7538051 0.84 HTT (0.49) SLC20A2SLC20A1CCR2MEN1KMT2A
SCHEMBL7539025 0.84 MEN1 (0.62) MEN1KMT2ARAB9AACLYAVPR2
SCHEMBL7539041 0.83 MEN1 (0.53) S1PR2MEN1KMT2ANPC1RAB9A
SCHEMBL7120286 0.82 SLC20A2 (0.74) SLC20A2SLC20A1MEN1KMT2AGAA

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