SCHEMBL9214291

SCHEMBL9214291

COc1cc2c(cc1OC)[C@H](c1ccccc1)N[C@](CCC(C)=O)(CC(F)(F)F)CS2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 19/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8228357 0.89 SLC10A2 (0.49) SLC10A2
SCHEMBL8228356 0.89 SLC10A2 (0.49) SLC10A2
SCHEMBL8689710 0.85 SLC10A2 (0.41) SLC10A2MEN1KMT2A
SCHEMBL8797690 0.85 SLC10A2 (0.41) SLC10A2MEN1KMT2A
SCHEMBL7484166 0.82 MEN1 (0.38) SLC10A2MEN1KMT2A
SCHEMBL7484164 0.82 MEN1 (0.38) SLC10A2MEN1KMT2A
SCHEMBL9284370 0.80 SLC10A2 (0.44) SLC10A2
SCHEMBL8692187 0.80 SLC10A2 (0.44) SLC10A2
SCHEMBL8797976 0.80 SLC10A2 (0.44) SLC10A2
SCHEMBL8228241 0.78 SLC10A2 (0.44) SLC10A2

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
EP-0683773-A1 HYPOLIPIDAEMIC CONDENSED 1,4-THIAZEPINES. WELLCOME FOUND (GB) 1995-11-29 EP claimed