SCHEMBL9966375

SCHEMBL9966375

C=C(/C=C\C(=C/N)C(=C)N=C(C)C)NC(=O)C1(c2ccc(-c3cnc(N)c(C)n3)cc2)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.34
HDAC1 Q13547 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
SCHEMBL9966449 0.80 MAP4K4 (0.33) MAP4K4HDAC1
SCHEMBL9966448 0.72 MAP4K4 (0.35) MAP4K4HDAC1
SCHEMBL9966380 0.72 PIK3CA (0.33) MAP4K4HDAC1
SCHEMBL14244013 0.68 HPGD (0.41) MAP4K4HDAC1
SCHEMBL9966514 0.68 MAP4K4 (0.40) MAP4K4HDAC1
SCHEMBL9966472 0.66 IDO1 (0.40) MAP4K4HDAC1
SCHEMBL9966385 0.66 MAP4K4 (0.44) MAP4K4HDAC1
SCHEMBL9966389 0.66 ALOX5 (0.41) MAP4K4HDAC1
SCHEMBL9966467 0.65 ALOX5AP (0.40) MAP4K4
SCHEMBL9966365 0.65 USP2 (0.33) MAP4K4HDAC1

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