SCHEMBL21801928

SCHEMBL21801928

COC1=C(N)C(=O)c2nc(-c3cc(C)c(C(=O)O)c(OC)n3)ccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.53
G6PD P11413 2/20 0.53
DNMT1 P26358 2/20 0.53
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
PADI1 Q9ULC6 3/20 0.49
PADI3 Q9ULW8 3/20 0.49
PADI4 Q9UM07 3/20 0.49
PADI2 Q9Y2J8 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
TGM2 P21980 1/20 0.49

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
SCHEMBL21801927 0.78 NSD2 (0.54) NSD2G6PDDNMT1FNTAFNTB
SCHEMBL21801909 0.74 NSD2 (0.52) NSD2G6PDDNMT1FNTAFNTB
SCHEMBL5925143 0.71 NSD2 (1.00) NSD2G6PDDNMT1FNTAFNTB
SCHEMBL21801766 0.70 NSD2 (0.59) NSD2G6PDDNMT1FNTAFNTB
SCHEMBL21801711 0.69 NSD2 (0.58) NSD2G6PDDNMT1FNTAFNTB
SCHEMBL21801953 0.69 NSD2 (0.60) NSD2G6PDDNMT1FNTAFNTB
SCHEMBL21801758 0.68 NSD2 (0.59) NSD2G6PDDNMT1FNTAFNTB
SCHEMBL7398287 0.68 POLB (0.53) G6PDPOLBKDM4EMEN1MAPT
SCHEMBL5925163 0.68 NSD2 (0.67) NSD2G6PDDNMT1FNTAFNTB
SCHEMBL21801780 0.67 NSD2 (0.52) NSD2G6PDDNMT1FNTAFNTB

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