SCHEMBL9710216

SCHEMBL9710216

O=C(NCc1cccc(F)c1SC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.47
HTT P42858 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.43
EPHX2 P34913 2/20 0.43
NAMPT P43490 2/20 0.43
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TTR P02766 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
SCHEMBL2914008 0.81 HPGD (0.65) HPGDALDH1A1POLBHTTLMNA
SCHEMBL9710291 0.78 LMNA (0.43) HPGDALDH1A1POLBLMNASMN1; SMN2
SCHEMBL9710223 0.75 ALDH1A1 (0.47) HPGDALDH1A1LMNAMAPTNPC1
SCHEMBL9710046 0.75 DDR1 (0.55) HPGDALDH1A1HTTLMNAMAPT
SCHEMBL3459833 0.75 GAA (0.55) HPGDALDH1A1LMNAGAA
SCHEMBL29114040 0.71 HPGD (0.56) HPGDALDH1A1POLBHTTLMNA
SCHEMBL20804370 0.71 HPGD (0.67) HPGDALDH1A1POLBHTTLMNA
SCHEMBL3460904 0.70 EPHX2 (0.57) HPGDALDH1A1POLBNPC1EPHX2
SCHEMBL1568699 0.70 NAMPT (0.69) HPGDHTTLMNANPC1NAMPT
SCHEMBL31396790 0.70 HPGD (0.59) HPGDALDH1A1HTTLMNAMAPT

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