SCHEMBL7287889

SCHEMBL7287889

O=C1Nc2ccccc2SCC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYBB P04839 1/20 0.43
NOX3 Q9HBY0 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
HSD17B10 Q99714 2/20 0.37
USP2 O75604 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7287458 0.82 ALDH1A1 (0.42) MAPTTP53SMN1; SMN2NOX1ALDH1A1
SCHEMBL7285051 0.79 DDB1 (0.50) MAPTTP53SMN1; SMN2NOX1ALDH1A1
SCHEMBL17634130 0.77 MAPT (0.66) MAPTTP53SMN1; SMN2CYBBNOX3
SCHEMBL17634166 0.75 MEN1 (0.68) MAPTTP53SMN1; SMN2CYBBNOX3
SCHEMBL839339 0.75 DDB1 (0.47) MAPTPARP1PARP2NPC1
SCHEMBL7289668 0.73 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL9876505 0.73 HSD17B10 (0.73) MAPTTP53SMN1; SMN2CYBBNOX3
SCHEMBL30923532 0.73 HSD17B10 (0.73) MAPTTP53SMN1; SMN2CYBBNOX3
SCHEMBL9206274 0.73 HSD17B10 (0.73) MAPTTP53SMN1; SMN2CYBBNOX3
SCHEMBL9206281 0.73 HSD17B10 (0.73) MAPTTP53SMN1; SMN2CYBBNOX3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394101-B1 Benzothiazepine derivatives, process for their preparation and thereby obtained intermediates, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1994-08-24 EP disclosed
US-5063225-A Antiarrhythmia ROUSSEL UCLAF (FR) 1991-11-05 US disclosed
EP-0394101-A1 Benzothiazepine derivatives, process for their preparation and thereby obtained intermediates, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1990-10-24 EP disclosed