SCHEMBL3134626

SCHEMBL3134626

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SCN9A Q15858 13/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SCN4A P35499 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
DHODH Q02127 1/20 0.40

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 0.87 MAPT (0.56) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3140138 0.83 MAPT (0.54) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3135428 0.82 MAPT (0.61) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3126831 0.81 SCN9A (0.48) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3139289 0.81 MAPT (0.52) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3140335 0.80 MAPT (0.60) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL27566662 0.73 NPC1 (0.51) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3129040 0.73 MAPT (0.52) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3129059 0.73 MAPT (0.52) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL27670799 0.72 ALDH1A1 (0.48) MAPT

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