SCHEMBL7532769

SCHEMBL7532769

O=C(Nc1ccc(F)c(F)c1)c1sccc1NS(=O)(=O)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KCNH2 Q12809 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CCR2 P41597 1/20 0.45
LMNA P02545 5/20 0.44
KMT2A Q03164 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC10A6 Q3KNW5 1/20 0.44
MEN1 O00255 4/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 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
SCHEMBL7533735 0.89 KMT2A (0.49) MAPTKCNH2RAB9ACCR2LMNA
SCHEMBL7538991 0.88 HTT (0.51) MAPTKCNH2NPC1RAB9ACCR2
SCHEMBL7533748 0.88 CCR2 (0.53) MAPTKCNH2NPC1RAB9ACCR2
SCHEMBL7537204 0.88 MAPT (0.51) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL7537156 0.87 EDNRA (0.51) KCNH2CCR2LMNAKMT2ATDP1
SCHEMBL7538052 0.83 SMN1; SMN2 (0.56) MAPTKCNH2NPC1RAB9ALMNA
SCHEMBL7563545 0.83 CCR2 (0.48) MAPTKCNH2NPC1RAB9ACCR2
SCHEMBL7532539 0.80 LMNA (0.53) MAPTKCNH2LMNAKMT2ASLC10A6
SCHEMBL7531342 0.80 ACLY (0.54) KCNH2CCR2LMNAKMT2ATDP1
SCHEMBL7530740 0.79 MEN1 (0.50) MAPTKCNH2LMNAKMT2AMEN1

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