SCHEMBL16410690

SCHEMBL16410690

[N-]=[N+]=NCC(C=N)C1CCC2(CC1)Nc1ccccc1N=C2NNCc1cccc(Cl)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 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
SCHEMBL16410840 0.80 ACAT2 (0.42) ACAT2
SCHEMBL16410773 0.80 ACAT2 (0.36) ACAT2
SCHEMBL16410817 0.79 ACAT2 (0.33) ACAT2
SCHEMBL16410769 0.78 ACAT2 (0.36) ACAT2
SCHEMBL16410606 0.78 ACAT2 (0.40) ACAT2
SCHEMBL16410657 0.78 ACAT2 (0.33) ACAT2
SCHEMBL16410753 0.77 ACAT2 (0.35) ACAT2
SCHEMBL16410598 0.77 ACAT2 (0.36) ACAT2
SCHEMBL16410679 0.75 ACAT2 (0.40) ACAT2
SCHEMBL16410662 0.75 ACAT2 (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
Send feedback