SCHEMBL28958009

SCHEMBL28958009

COC(=O)c1nc2ccccc2c(C(=O)OC)c1C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 5/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 2/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
PDE10A Q9Y233 1/20 0.46
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
ELANE P08246 1/20 0.46
TNKS O95271 1/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 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
SCHEMBL29267711 0.88 MEN1 (0.58) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8569494 0.87 MEN1 (0.56) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL2443270 0.86 MEN1 (0.71) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL38662586 0.86 MEN1 (0.71) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8574356 0.86 HSD17B10 (0.55) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8569908 0.86 KDM4E (0.55) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL28342069 0.83 KDM4E (0.54) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL21878637 0.79 MEN1 (0.75) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8170480 0.78 MEN1 (0.73) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL28129469 0.78 MEN1 (0.60) MEN1KMT2AKDM4EMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557888-B Method for preparing quinoline derivative by photocatalysis of N-aryl glycinate 安徽理工大学 2024-05-24 CN disclosed
CN-115557888-A Method for preparing quinoline derivative by photocatalysis of N-aryl glycine ester 安徽理工大学 2023-01-03 CN disclosed