SCHEMBL16410738

SCHEMBL16410738

Clc1cc2c(cc1Cl)NC1(CCSCC1)C(N=NCc1ccccc1)=N2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 2/20 0.36
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33

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
SCHEMBL16410847 0.89 ACAT2 (0.37) ACAT2
SCHEMBL16410784 0.88 ACAT2 (0.43) ACAT2
SCHEMBL16410694 0.84 ACAT2 (0.47) ACAT2CRHBPCRHR2
SCHEMBL16410736 0.81 ACAT2 (0.44) ACAT2
SCHEMBL17758089 0.77 LMNA (0.36) ACAT2
SCHEMBL16410766 0.76 ACAT2 (0.47) ACAT2
SCHEMBL16410755 0.75 ACAT2 (0.43) ACAT2CRHBPCRHR2
SCHEMBL16410803 0.74 ACAT2 (0.37) ACAT2
SCHEMBL16410816 0.74 ACAT2 (0.45) ACAT2
SCHEMBL17757825 0.73 ACAT2 (0.38) 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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