SCHEMBL16410803

SCHEMBL16410803

Clc1cccc(CN=NC2=Nc3cc(Br)c(Br)cc3NC23CCOCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.37
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL16410767 0.87 ACAT2 (0.43) ACAT2ROCK2
SCHEMBL16410630 0.84 ACAT2 (0.38) ACAT2
SCHEMBL16410863 0.83 ACAT2 (0.35) ACAT2ROCK2
SCHEMBL16410728 0.81 ACAT2 (0.42) ACAT2
SCHEMBL16410789 0.79 ACAT2 (0.38) ACAT2ROCK2
SCHEMBL17757056 0.79 PIK3CA (0.39) ACAT2
SCHEMBL16410766 0.79 ACAT2 (0.47) ACAT2
SCHEMBL16410787 0.78 ACAT2 (0.33) ACAT2
SCHEMBL16410694 0.78 ACAT2 (0.47) ACAT2
SCHEMBL16410680 0.77 ACAT2 (0.37) ACAT2

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-2015007730-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2015-01-22 — — WO disclosed
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