SCHEMBL7533629

SCHEMBL7533629

CCCCOc1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccc(F)c(F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.49
RECQL P46063 1/20 0.49
NPC1 O15118 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PKM P14618 1/20 0.46
MOGAT2 Q3SYC2 5/20 0.46
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7533462 0.97 MAPT (0.49) LMNASMN1; SMN2TP53MAPTHTT
SCHEMBL7537038 0.96 HTT (0.51) LMNASMN1; SMN2TP53MAPTHTT
SCHEMBL7539015 0.85 LMNA (0.55) LMNASMN1; SMN2TP53MAPTHTT
SCHEMBL7530740 0.84 MEN1 (0.50) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL7535071 0.84 LMNA (0.47) LMNASMN1; SMN2MAPTHTTNPC1
SCHEMBL7537385 0.83 ACLY (0.51) LMNASMN1; SMN2TP53MAPTHTT
SCHEMBL7537349 0.83 LMNA (0.53) LMNASMN1; SMN2TP53MAPTNPC1
SCHEMBL7125249 0.83 HTT (0.56) LMNASMN1; SMN2TP53MAPTHTT
SCHEMBL7531158 0.82 NPC1 (0.55) SMN1; SMN2MAPTHTTNPC1PKM
SCHEMBL7532791 0.81 MEN1 (0.49) LMNATP53MAPTCA12CA1

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