SCHEMBL7562743

SCHEMBL7562743

O=C(Nc1ccc(-c2ccccc2)cc1)c1sccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(Cl)c1)c1sccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.52
SLC20A2 Q08357 1/20 0.51
SLC20A1 Q8WUM9 1/20 0.51
CCR2 P41597 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
S1PR2 O95136 1/20 0.45
IDH2 P48735 4/20 0.45
USP2 O75604 2/20 0.45
USP8 P40818 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
ESR2 Q92731 1/20 0.43
IDH1 O75874 1/20 0.42

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
SCHEMBL7530790 0.86 SLC20A2 (0.65) ACLYSLC20A2SLC20A1CCR2MEN1
SCHEMBL7537253 0.84 IDH2 (0.54) ACLYSLC20A2SLC20A1CCR2MEN1
SCHEMBL7537030 0.84 MAPT (0.53) ACLYMEN1KMT2AGPR27NPC1
SCHEMBL7532778 0.84 SLC20A2 (0.54) ACLYSLC20A2SLC20A1CCR2MEN1
SCHEMBL7533744 0.84 SLC20A2 (0.58) SLC20A2SLC20A1CCR2MEN1KMT2A
SCHEMBL7533017 0.83 LMNA (0.53) ACLYMEN1KMT2AGAAAVPR2
SCHEMBL7563545 0.81 CCR2 (0.48) ACLYCCR2MEN1KMT2ANPC1
SCHEMBL7539041 0.81 MEN1 (0.53) ACLYMEN1KMT2AAVPR2GPR27
SCHEMBL7531331 0.80 DHODH (0.55) ACLYMEN1KMT2AGAA
SCHEMBL28454669 0.80 MEN1 (0.64) 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 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 claimed