SCHEMBL31047148

SCHEMBL31047148

COC(=O)c1cc(N)on1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 4/20 0.47
NOTUM Q6P988 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CFTR P13569 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
NQO2 P16083 1/20 0.39

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
SCHEMBL21523835 0.79 ALDH1A1 (0.49) TP53MAPTMAPK1HSD17B10CYP1A2
SCHEMBL160032 0.78 TP53 (0.51) TP53MAPTMAPK1NOTUMHSD17B10
SCHEMBL1087642 0.78 MAPT (0.56) TP53MAPTMAPK1NOTUMHSD17B10
SCHEMBL29021918 0.76 MAPT (0.50) TP53MAPTMAPK1NOTUMHSD17B10
SCHEMBL25176595 0.74 HCAR2 (0.55) TP53MAPTMAPK1NOTUMHSD17B10
SCHEMBL13197123 0.74 ALDH1A1 (0.55) TP53MAPTMAPK1CYP1A2CYP2C19
SCHEMBL29909974 0.74 ALDH1A1 (0.50) TP53MAPTMAPK1NOTUMHSD17B10
SCHEMBL18255998 0.73 MRGPRX4 (0.52) TP53MAPTMAPK1NOTUMHSD17B10
SCHEMBL18973243 0.73 MRGPRX4 (0.52) TP53MAPTMAPK1NOTUMHSD17B10
SCHEMBL15784497 0.73 HSD17B10 (0.60) TP53MAPTMAPK1NOTUMHSD17B10

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-2024149378-A1 QUINOLINONE COMPOUND AND NAPHTHYRIDINONE COMPOUND AND USE THEREOF 上海超阳药业有限公司 2024-07-18 WO disclosed