SCHEMBL16410796

SCHEMBL16410796

[N-]=[N+]=NCc1cccc(CNNC2=Nc3ccccc3NC23CCOCC3)c1Cl

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 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
SCHEMBL16410795 0.82 — —
SCHEMBL16410627 0.77 SLC6A2 (0.33) —
SCHEMBL17757229 0.76 PIK3CA (0.40) ACAT2
SCHEMBL16410745 0.76 TAAR1 (0.35) ACAT2
SCHEMBL16410827 0.76 — —
SCHEMBL17757524 0.75 SLC6A4 (0.36) ACAT2
SCHEMBL16410800 0.75 BRD4 (0.35) —
SCHEMBL16410791 0.74 ACAT2 (0.33) ACAT2
SCHEMBL16410616 0.74 ACAT2 (0.39) ACAT2
SCHEMBL16410824 0.73 PDE7A (0.38) 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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