SCHEMBL6474639

SCHEMBL6474639

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1Cc1ccc(CNC(=O)N2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.45
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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 SCHEMBL6533399 0.91 MAPK14 (0.45) MAPK14
SCHEMBL6472738 0.90 MAPK14 (0.44) MAPK14ALDH1A1
SCHEMBL6472007 0.85 MAPK14 (0.48) MAPK14
Hydrochloric Acid SCHEMBL6472381 0.83 MAPK14 (0.49) MAPK14
SCHEMBL6474959 0.83 MAPK14 (0.49) MAPK14
Hydrochloric Acid SCHEMBL6472357 0.81 MAPK14 (0.46) MAPK14
Hydrochloric Acid SCHEMBL6474992 0.81 MAPK14 (0.46) MAPK14
Hydrochloric Acid SCHEMBL6472999 0.81 MAPK14 (0.46) MAPK14
Hydrochloric Acid SCHEMBL6473612 0.81 MAPK14 (0.43) MAPK14SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6471433 0.80 MAPK14 (0.47) MAPK14

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