SCHEMBL4467067

SCHEMBL4467067

O=c1ccc2c(-c3ccc(F)cc3Cl)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 12/20 0.38
MAPK14 Q16539 6/20 0.37
SCN9A Q15858 1/20 0.37
TP53 P04637 1/20 0.37
MAPK13 O15264 4/20 0.34
MAPK12 P53778 4/20 0.34
MAPK11 Q15759 4/20 0.34
KCNH2 Q12809 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
SCHEMBL4470201 0.89 MAPK14 (0.39) DGAT2MAPK14SCN9ATP53MAPK13
SCHEMBL5113184 0.83 SCN9A (0.39) MAPK14SCN9AMAPK13MAPK12MAPK11
SCHEMBL4473486 0.81 MAPK14 (0.43) DGAT2MAPK14MAPK13MAPK12MAPK11
SCHEMBL4470456 0.81 MAPK14 (0.42) MAPK14SCN9AMAPK13MAPK12MAPK11
SCHEMBL4463178 0.81 MAPK14 (0.46) MAPK14SCN9AMAPK13MAPK12MAPK11
SCHEMBL3228338 0.81 MAT2A (0.39) DGAT2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1061169 0.78 MAPK14 (0.40) MAPK14SCN9AMAPK13MAPK12MAPK11
SCHEMBL1060462 0.77 SCN9A (0.37) MAPK14SCN9AMAPK13MAPK12MAPK11
Dilmapimod SCHEMBL1065268 0.77 MAPK14 (0.47) MAPK14SCN9AMAPK13MAPK12MAPK11
SCHEMBL4473445 0.77 MAPK14 (0.45) MAPK14SCN9AMAPK13MAPK12MAPK11

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
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed