SCHEMBL6948752

SCHEMBL6948752

CCOc1ccc(-c2ncc(O)cn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
FFAR2 O15552 1/20 0.35

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
SCHEMBL6950774 0.83 NR5A1 (0.45) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6956433 0.83 NR5A1 (0.45) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL14167872 0.82 MAPT (0.73) MAPTNPC1RAB9ACYP19A1PIK3CD
SCHEMBL15633679 0.81 MAPT (0.56) MAPTCYP19A1PIK3CDPIK3CAPIK3CB
SCHEMBL1662258 0.81 PIK3CD (0.55) MAPTCYP19A1PIK3CDPIK3CAPIK3CB
SCHEMBL29788015 0.73 MAPT (0.76) MAPTNPC1RAB9AMKNK1MKNK2
SCHEMBL2039201 0.73 MAPT (0.76) MAPTNPC1RAB9AMKNK1MKNK2
SCHEMBL17450617 0.73 MAPT (0.51) MAPTNPC1RAB9ACYP19A1PIK3CD
SCHEMBL13173483 0.73 PIK3CD (0.49) MAPTCYP19A1PIK3CDPIK3CAPIK3CB
SCHEMBL30268442 0.73 MAPT (0.51) MAPTNPC1RAB9ACYP19A1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639189-B1 PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2003-02-19 EP disclosed
US-5443754-A Pyridylpyrimidines, a process for their preparation and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-22 US disclosed
EP-0639189-A1 PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-22 EP disclosed
EP-0639189-A4 PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES. AVENTIS RES & TECH GMBH & CO (DE) 1993-09-17 EP disclosed
WO-1992012974-A1 PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-06 WO disclosed