SCHEMBL13635186

SCHEMBL13635186

O=c1c(Br)c(OCc2cccc(F)c2)ccn1Cc1cccc(P)c1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.78
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
MAOB P27338 1/20 0.41
PDE1C Q14123 2/20 0.41
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4392919 0.93 MAPK14 (0.89) MAPK14POLBTHRBMAOBPDE1C
SCHEMBL13635875 0.89 MAPK14 (0.66) MAPK14
SCHEMBL4467417 0.89 MAPK14 (0.89) MAPK14POLBTHRBPDE1CKDM4E
SCHEMBL4379163 0.88 MAPK14 (1.00) MAPK14SMN1; SMN2
SCHEMBL4382379 0.87 MAPK14 (0.82) MAPK14POLBTHRBMAOBPDE1C
SCHEMBL4471003 0.87 MAPK14 (0.78) MAPK14POLBMAOB
SCHEMBL13635874 0.87 MAPK14 (0.63) MAPK14POLBALDH1A1SMN1; SMN2
SCHEMBL4386801 0.87 MAPK14 (0.78) MAPK14POLBTHRBALDH1A1SMN1; SMN2
SCHEMBL4489729 0.85 MAPK14 (0.75) MAPK14MAOBKDM4E
SCHEMBL13635370 0.83 MAPK14 (0.74) MAPK14POLBTHRB

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
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed