SCHEMBL10241364

SCHEMBL10241364

Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)c(N)c5)cc4)CCC3)no2)cn1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.76
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58

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
SCHEMBL10241363 0.89 ALOX5AP (0.79) ALOX5APCYP2D6CYP2C9
SCHEMBL11993886 0.89 ALOX5AP (0.69) ALOX5APCYP2D6CYP2C9
SCHEMBL10241802 0.87 ALOX5AP (1.00) ALOX5APCYP2D6CYP2C9
SCHEMBL10240594 0.86 ALOX5AP (0.83) ALOX5APCYP2D6CYP2C9
SCHEMBL10241372 0.84 ALOX5AP (0.77) ALOX5APCYP2D6CYP2C9
SCHEMBL10240730 0.84 ALOX5AP (0.73) ALOX5APCYP2D6CYP2C9
SCHEMBL10240508 0.82 ALOX5AP (1.00) ALOX5APCYP2D6CYP2C9
SCHEMBL10241367 0.82 ALOX5AP (0.84) ALOX5APCYP2D6CYP2C9
SCHEMBL10240543 0.82 ALOX5AP (0.71) ALOX5APCYP2D6CYP2C9
SCHEMBL11993786 0.81 ALOX5AP (0.72) ALOX5APCYP2D6CYP2C9

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-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 WO disclosed