SCHEMBL3135428

SCHEMBL3135428

O=C(O)Oc1nccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
SCN9A Q15858 8/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
SCN4A P35499 1/20 0.44
GAA P10253 1/20 0.44
DHODH Q02127 1/20 0.43
MAPK14 Q16539 3/20 0.43

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
SCHEMBL3138994 0.85 MAPT (0.56) MAPTL3MBTL1KMT2AMEN1SCN9A
SCHEMBL3140335 0.85 MAPT (0.60) MAPTL3MBTL1KMT2AMEN1SCN9A
SCHEMBL3140138 0.83 MAPT (0.54) MAPTL3MBTL1KMT2AMEN1SCN9A
SCHEMBL3134626 0.82 MAPT (0.53) MAPTL3MBTL1KMT2AMEN1SCN9A
SCHEMBL3139289 0.81 MAPT (0.52) MAPTL3MBTL1KMT2AMEN1SCN9A
SCHEMBL3126799 0.81 KMO (0.60) MAPTL3MBTL1KMT2AMEN1NPC1
SCHEMBL3125866 0.80 KMO (0.58) MAPTL3MBTL1KMT2AMEN1SCN9A
SCHEMBL3143961 0.77 MEN1 (0.52) MAPTL3MBTL1KMT2AMEN1SCN9A
SCHEMBL3129059 0.77 MAPT (0.52) MAPTL3MBTL1KMT2AMEN1SCN9A
SCHEMBL3125837 0.77 SCN9A (0.55) MAPTL3MBTL1KMT2AMEN1SCN9A

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-1265866-B1 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-07-21 EP claimed