SCHEMBL21801801

SCHEMBL21801801

OB(O)Oc1cnc(Oc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
MAPT P10636 1/20 0.37
SCN5A Q14524 5/20 0.36
KCNH2 Q12809 3/20 0.36
SCN9A Q15858 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
FAAH O00519 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXRA P19793 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 0.35
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 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
SCHEMBL21801782 0.81 SCN5A (0.40) EPHX2MAPTSCN5AKCNH2SCN9A
SCHEMBL21801743 0.80 MEN1 (0.49) NPC1RAB9AMEN1KMT2A
SCHEMBL630440 0.78 MAPT (0.48) EPHX2MAPTRAB9AL3MBTL1MEN1
SCHEMBL28624716 0.71 ALDH1A1 (0.35) MAPTL3MBTL1MEN1KMT2A
SCHEMBL28451946 0.71
SCHEMBL30448711 0.70 MAPT (0.42) EPHX2MAPTRAB9AL3MBTL1MEN1
SCHEMBL22404975 0.70 EGFR (0.43) KCNH2RXRAGRIN1GRIN2BSCN10A
SCHEMBL30091780 0.70 EGFR (0.43) KCNH2RXRAGRIN1GRIN2BSCN10A
SCHEMBL28780452 0.70 EPHX2 (0.50) EPHX2MAPTSCN5AKCNH2SCN9A
SCHEMBL15750456 0.69 TRPV4 (0.47) SCN9ASCN8ASCN10A

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-2020055192-A2 PREPARATION METHOD FOR QUINOLINE-5, 8-DIONE DERIVATIVE WHICH IS TGASE 2 INHIBITOR 재단법인 대구경북첨단의료산업진흥재단 2020-03-19 WO disclosed