SCHEMBL9710046

SCHEMBL9710046

O=C(NCc1cc(F)ccc1SC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 5/20 0.55
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TTR P02766 1/20 0.44
MAPT P10636 1/20 0.44
KCNH2 Q12809 1/20 0.43
HTT P42858 1/20 0.43
EPHX2 P34913 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.41
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL9710223 0.90 ALDH1A1 (0.47) DDR1HPGDALDH1A1TTRMAPT
SCHEMBL3460904 0.77 EPHX2 (0.57) HPGDALDH1A1TTREPHX2ERCC1
SCHEMBL15686088 0.75 HPGD (0.68) DDR1HPGDALDH1A1TTRMAPT
SCHEMBL5643080 0.75 SMN1; SMN2 (0.57) HPGDALDH1A1MAPTEPHX2MEN1
SCHEMBL9710291 0.75 LMNA (0.43) HPGDALDH1A1ERCC1ERCC4NPC1
SCHEMBL9710216 0.75 HPGD (0.51) HPGDALDH1A1TTRMAPTHTT
SCHEMBL9710122 0.73 EPHX2 (0.62) HPGDALDH1A1MAPTHTTEPHX2
SCHEMBL9710201 0.72 HTT (0.50) HPGDALDH1A1MAPTHTTNPC1
SCHEMBL16528035 0.71 DDR1 (1.00) DDR1ALDH1A1
SCHEMBL2914008 0.70 HPGD (0.65) HPGDALDH1A1MAPTHTTNPC1

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-1992021668-A1 BENZOTHIAZEPINONES AND THEIR USE AS ANTICONVULSANTS THE BOOTS COMPANY PLC (GB) 1992-12-10 WO disclosed