SCHEMBL7532056

SCHEMBL7532056

COc1ccc(NC(=O)c2sccc2NS(=O)(=O)CC(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
MAPT P10636 8/20 0.46
KDM4E B2RXH2 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 2/20 0.46
CYP2D6 P10635 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 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
SCHEMBL7538956 0.91 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1GLA
SCHEMBL7537410 0.85 MAPT (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1GLA
SCHEMBL22892932 0.82 KDR (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL7537261 0.81 F10 (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1GLA
SCHEMBL7532612 0.81 HTT (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL7537216 0.80 ALDH1A1 (0.58) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL7533744 0.80 SLC20A2 (0.58) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL7538052 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1GLA
SCHEMBL7533699 0.79 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1GLA
SCHEMBL7538011 0.77 LMNA (0.55) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT

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