SCHEMBL16410538

SCHEMBL16410538

NN1CCCC2(CC1)Nc1ccccc1N=C2NNCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 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
SCHEMBL16410622 0.88 KMT2A (0.37) KMT2A
SCHEMBL16410739 0.87 KMT2A (0.39) KMT2A
SCHEMBL16410633 0.85 ACAT2 (0.37) KMT2A
SCHEMBL16410601 0.83 — —
SCHEMBL16410691 0.81 CXCR4 (0.30) —
SCHEMBL16410663 0.80 HTR1A (0.30) —
SCHEMBL16410778 0.80 LMNA (0.38) —
SCHEMBL16410643 0.80 ACAT2 (0.35) KMT2A
SCHEMBL16410867 0.79 ALDH1A1 (0.34) KMT2A
SCHEMBL16410634 0.79 CXCR4 (0.34) KMT2A

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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