SCHEMBL7537204

SCHEMBL7537204

O=C(Nc1ccc(F)c(F)c1)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ACLY P53396 1/20 0.49
IDH2 P48735 1/20 0.47
GRM4 Q14833 2/20 0.46
GPR27 Q9NS67 2/20 0.46
HTR2B P41595 1/20 0.46
BDKRB1 P46663 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
STING1 Q86WV6 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
AVPR2 P30518 1/20 0.45
TP53 P04637 1/20 0.44
FFAR4 Q5NUL3 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
SCHEMBL7532769 0.88 MAPT (0.53) MAPTNPC1RAB9AACLYKDM4E
SCHEMBL7568445 0.87 MEN1 (0.53) MAPTGRM4GPR27KDM4EALDH1A1
SCHEMBL7533361 0.86 ACLY (0.48) MAPTACLYGRM4GPR27KDM4E
SCHEMBL7534407 0.85 LMNA (0.56) MAPTNPC1RAB9AACLYGRM4
SCHEMBL7539025 0.85 MEN1 (0.62) MAPTRAB9AACLYGRM4GPR27
SCHEMBL7530740 0.84 MEN1 (0.50) MAPTACLYGRM4GPR27BDKRB1
SCHEMBL7533623 0.84 ACLY (0.55) MAPTNPC1RAB9AACLYIDH2
SCHEMBL7537030 0.84 MAPT (0.53) MAPTNPC1RAB9AACLYGRM4
SCHEMBL7537270 0.84 ITGA1 (0.47) MAPTNPC1RAB9AACLYIDH2
SCHEMBL7531372 0.84 SLC10A2 (0.48) MAPTRAB9AACLYIDH2GRM4

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 disclosed