SCHEMBL6470936

SCHEMBL6470936

NC(=O)c1cccc(-c2c(CNC(=O)c3ccccn3)[nH]c(=O)c(Br)c2OCc2ccc(F)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 1/20 0.38
GRIN2B Q13224 1/20 0.38
PTGER1 P34995 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
GRM4 Q14833 1/20 0.35
APLNR P35414 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
Hydrochloric Acid SCHEMBL6471715 0.86 MAPK14 (0.46) MAPK14PTGER1
Hydrochloric Acid SCHEMBL6471079 0.84 MAPK14 (0.45) MAPK14PTGER1
SCHEMBL6471896 0.84 MAPK14 (0.49) MAPK14PTGER1
Hydrochloric Acid SCHEMBL6471206 0.83 MAPK14 (0.42) MAPK14PTGER1
Hydrochloric Acid SCHEMBL6471035 0.83 MAPK14 (0.49) MAPK14PTGER1
SCHEMBL6471426 0.82 MAPK14 (0.48) MAPK14PTGER1
SCHEMBL6470992 0.80 MAPK14 (0.54) MAPK14PTGER1
SCHEMBL6471501 0.76 PTGER1 (0.49) MAPK14PTGER1
SCHEMBL6471882 0.76 MAPK14 (0.44) MAPK14MEN1KMT2APTGER1
SCHEMBL6471935 0.76 MAPK14 (0.43) MAPK14PTGER1

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed