SCHEMBL16410733

SCHEMBL16410733

Cc1ccccc1CNNC1=Nc2ccccc2NC12CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ACAT2 Q9BWD1 2/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.34
▸ PDE7A Q13946 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ CHRM2 P08172 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
SCHEMBL17757118 0.88 ACAT2 (0.37) POLBKMT2AACAT2EGLN1PDE7A
SCHEMBL16410824 0.87 PDE7A (0.38) KMT2AACAT2PDE7A
SCHEMBL16410615 0.86 KMT2A (0.36) KMT2AACAT2PDE7AHPGD
SCHEMBL16410739 0.83 KMT2A (0.39) KMT2AACAT2PDE7ALMNA
SCHEMBL16410622 0.82 KMT2A (0.37) KMT2AACAT2PDE7A
SCHEMBL16410640 0.82 MAOA (0.36) KMT2A
SCHEMBL17757865 0.81 ACAT2 (0.34) POLBKMT2AACAT2PDE7A
SCHEMBL16410746 0.79 KMT2A (0.34) POLBKMT2ALMNA
SCHEMBL17757862 0.79 ACAT2 (0.33) POLBKMT2AACAT2PDE7A
SCHEMBL17757282 0.78 ACAT2 (0.49) ACAT2EGLN1HPGDLMNACHRM2

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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