SCHEMBL7395463

SCHEMBL7395463

O=C1CN(c2ccc(OC(F)(F)F)cc2)C=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPBWR1 P48145 2/20 0.36
MCHR1 Q99705 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL9862074 0.72 NPC1 (0.55) POLBMEN1KMT2ACYP1A2MAPT
SCHEMBL8579371 0.69 POLB (0.44) POLBL3MBTL1LIPEKCNA5
SCHEMBL24997232 0.68 POLB (0.59) POLBL3MBTL1GABRA1GABRG2GABRB3
SCHEMBL21383412 0.68 L3MBTL1 (0.54) POLBL3MBTL1GABRA1GABRG2GABRB3
SCHEMBL1257933 0.68 POLB (0.43) POLBL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL14638126 0.68 KCNA5 (0.42) POLBL3MBTL1GABRA1GABRG2GABRB3
SCHEMBL29471932 0.67 KCNA5 (0.50) POLBL3MBTL1MAPTEPHX2ALDH1A1
SCHEMBL2426703 0.67 KCNA5 (0.50) POLBL3MBTL1MEN1KMT2AMAPT
SCHEMBL6177616 0.67 LIPE (0.46) POLBL3MBTL1PIM1PIM2LIPE
SCHEMBL15576793 0.67 LIPE (0.51) POLBL3MBTL1NPBWR1MCHR1PPARD

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
WO-2001092257-A1 OXO-IMIDAZOPYRIMIDINE-CARBOXAMIDES AND THEIR USE AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2001-12-06 WO claimed