SCHEMBL29950091

SCHEMBL29950091

CCOC(=O)c1c(O)c2ccccc2n(C[C@H]2CN(c3ccccc3)C(=O)O2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
RECQL P46063 1/20 0.58
LMNA P02545 2/20 0.56
ALDH1A1 P00352 5/20 0.55
HTT P42858 3/20 0.54
USP2 O75604 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.44
GRM2 Q14416 2/20 0.44
FEN1 P39748 1/20 0.44

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
SCHEMBL29950257 1.00 KDM4E (0.62) KDM4ERECQLLMNAALDH1A1HTT
SCHEMBL28849142 1.00 KDM4E (0.62) KDM4ERECQLLMNAALDH1A1HTT
SCHEMBL28849012 0.87 GRM2 (0.47) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL28849009 0.87 GRM2 (0.47) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL28849044 0.82 KDM4E (0.64) KDM4ERECQLLMNAALDH1A1HTT
SCHEMBL29950182 0.82 KDM4E (0.64) KDM4ERECQLLMNAALDH1A1HTT
SCHEMBL28849092 0.81 EGLN1 (0.58) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL29950086 0.81 EGLN1 (0.58) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL28849034 0.81 EGLN1 (0.58) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL28849083 0.80 KDM4E (0.64) KDM4ERECQLLMNAALDH1A1HTT

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
CN-108069952-B Quinolinone compound and application thereof in medicines 广东东阳光药业有限公司 2022-09-27 CN disclosed