SCHEMBL7596530

SCHEMBL7596530

O=C(OCO)c1nccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SCN9A Q15858 14/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
SCN4A P35499 1/20 0.41
KMO O15229 1/20 0.41

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
SCHEMBL3131855 0.89 L3MBTL1 (0.47) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL27566662 0.85 NPC1 (0.51) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3126799 0.83 KMO (0.60) MAPTL3MBTL1MEN1KMT2ANPC1
SCHEMBL3125837 0.82 SCN9A (0.55) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3125866 0.82 KMO (0.58) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3129059 0.82 MAPT (0.52) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3136626 0.81 MEN1 (0.49) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3125871 0.81 MAPT (0.51) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3138387 0.80 SCN9A (0.52) MAPTL3MBTL1SCN9AMEN1KMT2A
SCHEMBL3138407 0.79 MAPT (0.52) MAPTL3MBTL1SCN9AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265866-A2 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-12-18 EP disclosed
WO-2001068612-A2 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2001-09-20 WO disclosed