SCHEMBL4556382

SCHEMBL4556382

CC(C)(C)n1c(-c2cc(N)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.83

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
SCHEMBL4556377 0.91 ALOX5AP (1.00) ALOX5AP
SCHEMBL4558293 0.91 ALOX5AP (1.00) ALOX5AP
SCHEMBL4556741 0.91 ALOX5AP (1.00) ALOX5AP
SCHEMBL2733451 0.89 ALOX5AP (1.00) ALOX5AP
SCHEMBL4557908 0.88 ALOX5AP (1.00) ALOX5AP
SCHEMBL4556428 0.87 ALOX5AP (1.00) ALOX5AP
SCHEMBL1957167 0.84 ALOX5AP (0.77) ALOX5AP
SCHEMBL12576331 0.83 ALOX5AP (0.74) ALOX5AP
SCHEMBL1956782 0.83 ALOX5AP (0.71) ALOX5AP
SCHEMBL4556384 0.83 ALOX5AP (1.00) ALOX5AP

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-2012061169-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 WO disclosed