SCHEMBL9966229

SCHEMBL9966229

C=C(/C=N\C=C/N)NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 16/20 0.40
IDO1 P14902 3/20 0.40
MAP4K4 O95819 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
SCHEMBL9966182 0.80 IDO1 (0.42) ALOX5APIDO1MAP4K4
SCHEMBL9966467 0.79 ALOX5AP (0.40) ALOX5APIDO1MAP4K4
SCHEMBL9966472 0.77 IDO1 (0.40) ALOX5APIDO1MAP4K4
SCHEMBL9966408 0.77 ALOX5AP (0.38) ALOX5APIDO1MAP4K4
SCHEMBL9966565 0.74 ALOX5AP (0.36) ALOX5APIDO1MAP4K4
SCHEMBL9966252 0.74 HDAC1 (0.41) ALOX5APIDO1MAP4K4
SCHEMBL9966417 0.74 IDO1 (0.43) ALOX5APIDO1MAP4K4
SCHEMBL9966281 0.73 LMNA (0.60) ALOX5APIDO1
SCHEMBL9966248 0.72 IDO1 (0.36) ALOX5APIDO1MAP4K4
SCHEMBL9966508 0.72 ALOX5AP (0.48) ALOX5APIDO1MAP4K4

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-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed