SCHEMBL9710201

SCHEMBL9710201

COc1cccc(SC(=O)c2ccccc2)c1CNC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.49
HPGD P15428 5/20 0.48
GAA P10253 1/20 0.48
HDAC1 Q13547 1/20 0.48
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL9710290 0.83 HPGD (0.55) MAPTLMNAHPGDGAAHDAC1
SCHEMBL9710275 0.81 LMNA (0.59) MAPTLMNAHPGDGAAHDAC1
SCHEMBL9710291 0.81 LMNA (0.43) LMNAHPGDGAAHDAC1SMN1; SMN2
SCHEMBL10435997 0.78 MAPT (0.56) HTTMAPTLMNAHPGDGAA
SCHEMBL9710122 0.74 EPHX2 (0.62) HTTMAPTHPGDGAASMN1; SMN2
SCHEMBL6848785 0.74 HTT (0.83) HTTMAPTHPGDGAAHDAC1
SCHEMBL9710046 0.72 DDR1 (0.55) HTTMAPTLMNAHPGDGAA
SCHEMBL6848908 0.70 SMN1; SMN2 (0.66) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL9710223 0.69 ALDH1A1 (0.47) MAPTLMNAHPGDGAANPC1
SCHEMBL11901119 0.69 HPGD (0.84) HTTMAPTLMNAHPGDGAA

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