SCHEMBL21801735

SCHEMBL21801735

COC1=C(N)C(=O)c2nc(-c3ccc(Cl)c(F)c3)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
S100A4 P26447 1/20 0.45
UCHL3 P15374 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TGM2 P21980 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 1/20 0.41
GALK1 P51570 1/20 0.41

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 0.80 NSD2 (0.59) NSD2G6PDDNMT1S100A4UCHL3
SCHEMBL21801909 0.76 NSD2 (0.52) NSD2G6PDDNMT1S100A4UCHL3
SCHEMBL21801898 0.76 PADI1 (0.50) S100A4TGM2PDE4APDE4BPDE4C
SCHEMBL21801953 0.76 NSD2 (0.60) NSD2G6PDDNMT1S100A4UCHL3
SCHEMBL21801799 0.76 NSD2 (0.51) NSD2G6PDDNMT1S100A4UCHL3
SCHEMBL21801758 0.75 NSD2 (0.59) NSD2G6PDDNMT1S100A4UCHL3
SCHEMBL21801780 0.74 NSD2 (0.52) NSD2G6PDDNMT1S100A4UCHL3
SCHEMBL5925143 0.70 NSD2 (1.00) NSD2G6PDDNMT1S100A4UCHL3
SCHEMBL5925163 0.70 NSD2 (0.67) NSD2G6PDDNMT1S100A4UCHL3
SCHEMBL21801980 0.70 NSD2 (0.55) NSD2G6PDDNMT1S100A4UCHL3

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