SCHEMBL16410698

SCHEMBL16410698

[N-]=[N+]=NCC(C=N)(CN=[N+]=[N-])c1ccc(CN=NC2=Nc3ccccc3NC23CCNCC3)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 2/20 0.31

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
SCHEMBL16410532 0.75 ACAT2 (0.44) ACAT2
SCHEMBL16410830 0.73 ACAT2 (0.57) ACAT2
SCHEMBL16410667 0.72 ACAT2 (0.38) ACAT2
SCHEMBL16410759 0.71 ACAT2 (0.57) ACAT2
SCHEMBL16410755 0.71 ACAT2 (0.43) ACAT2
SCHEMBL16410726 0.69 ALDH1A1 (0.32) ACAT2
SCHEMBL16410784 0.69 ACAT2 (0.43) ACAT2
SCHEMBL16410741 0.68 PDE7A (0.33) ACAT2
SCHEMBL16410706 0.68 — —
SCHEMBL16410766 0.66 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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