SCHEMBL9966472

SCHEMBL9966472

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
ALOX5AP P20292 12/20 0.38
MAP4K4 O95819 1/20 0.33
HSD11B1 P28845 1/20 0.32
HDAC1 Q13547 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL9966467 0.89 ALOX5AP (0.40) IDO1ALOX5APMAP4K4HSD11B1
SCHEMBL9966182 0.86 IDO1 (0.42) IDO1ALOX5APMAP4K4HSD11B1
SCHEMBL9966408 0.81 ALOX5AP (0.38) IDO1ALOX5APMAP4K4HDAC1
SCHEMBL9966565 0.81 ALOX5AP (0.36) IDO1ALOX5APMAP4K4HDAC1
SCHEMBL9966448 0.80 MAP4K4 (0.35) IDO1ALOX5APMAP4K4HDAC1
SCHEMBL9966252 0.80 HDAC1 (0.41) IDO1ALOX5APMAP4K4HDAC1
SCHEMBL9966248 0.79 IDO1 (0.36) IDO1ALOX5APMAP4K4HSD11B1
SCHEMBL9966417 0.78 IDO1 (0.43) IDO1ALOX5APMAP4K4HDAC1
SCHEMBL9966229 0.77 ALOX5AP (0.40) IDO1ALOX5APMAP4K4
SCHEMBL9966523 0.76 IDO1 (0.36) IDO1ALOX5APMAP4K4

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