SCHEMBL16410665

SCHEMBL16410665

N=Cc1cccc2c1NC1(CCSCC1)C(NNCc1cccc(Cl)c1)=N2

nearest known ligand 0.32

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
SCHEMBL16410860 0.90 PIK3CA (0.33) —
SCHEMBL16410564 0.82 MEN1 (0.33) —
SCHEMBL16410687 0.77 ACAT2 (0.34) ACAT2
SCHEMBL17757566 0.77 P2RX7 (0.36) ACAT2
SCHEMBL16410840 0.77 ACAT2 (0.42) ACAT2
SCHEMBL16410872 0.77 PDE7A (0.35) —
SCHEMBL16410730 0.77 ACAT2 (0.39) ACAT2
SCHEMBL17757567 0.75 HDAC3 (0.35) ACAT2
SCHEMBL17757552 0.75 FABP4 (0.35) ACAT2
SCHEMBL16410606 0.74 ACAT2 (0.40) 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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