SCHEMBL16410741

SCHEMBL16410741

[N-]=[N+]=NCc1cccc(CN=NC2=Nc3ccccc3NC23CCCCC3)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 2/20 0.33
▸ ACAT2 Q9BWD1 3/20 0.32

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
SCHEMBL16410770 0.85 ACAT2 (0.44) PDE7AACAT2
SCHEMBL16410757 0.81 — —
SCHEMBL16410816 0.81 ACAT2 (0.45) PDE7AACAT2
SCHEMBL16410755 0.80 ACAT2 (0.43) PDE7AACAT2
SCHEMBL16410712 0.79 ACAT2 (0.38) PDE7AACAT2
SCHEMBL16410866 0.77 FABP3 (0.33) ACAT2
SCHEMBL16410759 0.76 ACAT2 (0.57) ACAT2
SCHEMBL16410617 0.76 ACAT2 (0.35) PDE7AACAT2
SCHEMBL16410750 0.75 ACAT2 (0.39) PDE7AACAT2
SCHEMBL16410766 0.75 ACAT2 (0.47) 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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