SCHEMBL16410657

SCHEMBL16410657

[N-]=[N+]=NCN1CCCC2(CCC1)Nc1ccccc1N=C2NNCc1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ LTA4H P09960 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ MAOB P27338 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ METAP2 P50579 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
SCHEMBL16410606 0.85 ACAT2 (0.40) ACAT2KMT2A
SCHEMBL16410840 0.84 ACAT2 (0.42) ACAT2KMT2AMETAP2
SCHEMBL16410633 0.82 ACAT2 (0.37) ACAT2KMT2ASIGMAR1MAOBHTR6
SCHEMBL16410817 0.81 ACAT2 (0.33) ACAT2KMT2A
SCHEMBL16410643 0.81 ACAT2 (0.35) ACAT2KMT2ALTA4HSIGMAR1MAOB
SCHEMBL16410598 0.81 ACAT2 (0.36) ACAT2KMT2AMETAP2
SCHEMBL16410596 0.80 ACAT2 (0.35) ACAT2KMT2ASIGMAR1MAOBHTR6
SCHEMBL16410679 0.79 ACAT2 (0.40) ACAT2KMT2AMAOBHTR6
SCHEMBL16410612 0.78 ACAT2 (0.33) ACAT2
SCHEMBL16410690 0.78 ACAT2 (0.31) 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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