SCHEMBL9966408

SCHEMBL9966408

C=C(/C=C\C(=C/N)c1ccccc1)NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.38
IDO1 P14902 4/20 0.38
HDAC1 Q13547 6/20 0.37
MAP4K4 O95819 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC4 P56524 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL9966417 0.91 IDO1 (0.43) ALOX5APIDO1HDAC1MAP4K4LMNA
SCHEMBL9966252 0.87 HDAC1 (0.41) ALOX5APIDO1HDAC1MAP4K4HDAC3
SCHEMBL9966565 0.84 ALOX5AP (0.36) ALOX5APIDO1HDAC1MAP4K4LMNA
SCHEMBL9966182 0.84 IDO1 (0.42) ALOX5APIDO1MAP4K4
SCHEMBL9966467 0.83 ALOX5AP (0.40) ALOX5APIDO1MAP4K4
SCHEMBL9966248 0.82 IDO1 (0.36) ALOX5APIDO1MAP4K4
SCHEMBL9966472 0.81 IDO1 (0.40) ALOX5APIDO1HDAC1MAP4K4
SCHEMBL9966523 0.80 IDO1 (0.36) ALOX5APIDO1MAP4K4
SCHEMBL9966230 0.78 ALOX5AP (0.41) ALOX5APMAP4K4
SCHEMBL9966308 0.78 ALOX5AP (0.33) ALOX5APIDO1LMNA

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