SCHEMBL21801980

SCHEMBL21801980

COC1=C(N)C(=O)c2nc(-c3ccccc3[N+](=O)[O-])ccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.55
G6PD P11413 2/20 0.55
DNMT1 P26358 2/20 0.55
S100A4 P26447 1/20 0.50
PTPN1 P18031 2/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
MAOB P27338 1/20 0.44
F2RL3 Q96RI0 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
BLM P54132 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 2/20 0.42
UCHL3 P15374 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL21801766 0.74 NSD2 (0.59) NSD2G6PDDNMT1S100A4FNTA
SCHEMBL21801953 0.73 NSD2 (0.60) NSD2G6PDDNMT1S100A4FNTA
SCHEMBL5925143 0.72 NSD2 (1.00) NSD2G6PDDNMT1S100A4FNTA
SCHEMBL21801758 0.72 NSD2 (0.59) NSD2G6PDDNMT1S100A4FNTA
SCHEMBL21801711 0.71 NSD2 (0.58) NSD2G6PDDNMT1S100A4FNTA
SCHEMBL21801735 0.70 NSD2 (0.53) NSD2G6PDDNMT1S100A4FNTA
SCHEMBL21801909 0.69 NSD2 (0.52) NSD2G6PDDNMT1S100A4FNTA
SCHEMBL21801780 0.69 NSD2 (0.52) NSD2G6PDDNMT1S100A4FNTA
SCHEMBL5925163 0.69 NSD2 (0.67) NSD2G6PDDNMT1S100A4FNTA
SCHEMBL21801799 0.68 NSD2 (0.51) NSD2G6PDDNMT1S100A4FNTA

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