SCHEMBL9966248

SCHEMBL9966248

C=C(/C=C\C(=C/N)c1ncnn1C)NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.36
ALOX5AP P20292 14/20 0.35
HSD11B1 P28845 1/20 0.33
MAP4K4 O95819 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31

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
SCHEMBL9966408 0.82 ALOX5AP (0.38) IDO1ALOX5APMAP4K4
SCHEMBL9966182 0.82 IDO1 (0.42) IDO1ALOX5APHSD11B1MAP4K4
SCHEMBL9966389 0.81 ALOX5 (0.41) IDO1ALOX5APMAP4K4
SCHEMBL9966417 0.79 IDO1 (0.43) IDO1ALOX5APMAP4K4
SCHEMBL9966252 0.79 HDAC1 (0.41) IDO1ALOX5APMAP4K4
SCHEMBL9966467 0.79 ALOX5AP (0.40) IDO1ALOX5APHSD11B1MAP4K4
SCHEMBL9966472 0.79 IDO1 (0.40) IDO1ALOX5APHSD11B1MAP4K4
SCHEMBL9966523 0.77 IDO1 (0.36) IDO1ALOX5APMAP4K4
SCHEMBL9966230 0.77 ALOX5AP (0.41) ALOX5APMAP4K4
SCHEMBL9966308 0.75 ALOX5AP (0.33) IDO1ALOX5AP

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