SCHEMBL10242456

SCHEMBL10242456

C=S(C)(=O)Nc1nc(C2(c3ccc(Br)cc3)CCC2)no1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.58
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11972952 0.91 ALOX5AP (0.69) ALOX5AP
SCHEMBL10240452 0.74 ALOX5AP (0.65) ALOX5AP
SCHEMBL10241343 0.73 ALOX5AP (1.00) ALOX5AP
SCHEMBL10240430 0.72 ALOX5AP (0.45) ALOX5AP
SCHEMBL10240429 0.72 ALOX5AP (0.45) ALOX5AP
SCHEMBL10240799 0.70 ALOX5AP (0.46) ALOX5AP
SCHEMBL10240363 0.69 ALOX5AP (0.44) ALOX5APMEN1KMT2A
SCHEMBL10241326 0.69 ALOX5AP (0.43) ALOX5APMEN1KMT2A
SCHEMBL21116046 0.69 ALOX5AP (0.49) ALOX5APMEN1KMT2A
SCHEMBL10242359 0.69 ALOX5AP (0.68) 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-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 WO disclosed