SCHEMBL16410848

SCHEMBL16410848

[N-]=[N+]=NCc1cc2c(cc1CN=[N+]=[N-])NC1(CCCCCC1)C(NNCc1ccccc1)=N2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.32
▸ 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
SCHEMBL16410846 1.00 KMT2A (0.32) KMT2AACAT2
SCHEMBL16410612 0.91 ACAT2 (0.33) ACAT2
SCHEMBL16410586 0.83 MYC (0.31) —
SCHEMBL16410616 0.83 ACAT2 (0.39) ACAT2
SCHEMBL16410786 0.81 — —
SCHEMBL16410792 0.81 KMT2A (0.38) KMT2AACAT2
SCHEMBL16410739 0.79 KMT2A (0.39) KMT2AACAT2
SCHEMBL16410624 0.78 SMN1; SMN2 (0.38) KMT2A
SCHEMBL16410622 0.78 KMT2A (0.37) KMT2AACAT2
SCHEMBL16410815 0.76 — —

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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