SCHEMBL11833334

SCHEMBL11833334

O=C(O)c1ccc(C2CCCCC2)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.47
KDM5B Q9UGL1 3/20 0.47
KDM4A O75164 2/20 0.45
KDM6B O15054 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
KDM3B Q7LBC6 1/20 0.45
HIF1AN Q9NWT6 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
ACMSD Q8TDX5 2/20 0.44
KDM4E B2RXH2 4/20 0.44
DAO P14920 2/20 0.42
BRS3 P32247 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMO O15229 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL17844663 0.91 KDM4E (0.47) KDM5AKDM5BKDM4AKDM6BKDM4D
SCHEMBL25148777 0.84 KDM4E (0.41) KDM5AKDM5BKDM4AKDM6BKDM4D
SCHEMBL25148754 0.81 KDM4E (0.40) KDM5AKDM5BKDM4AKDM6BKDM4D
SCHEMBL25148778 0.80 KDM4E (0.39) KDM5AKDM5BKDM4AKDM6BKDM4D
SCHEMBL25148750 0.80 KDM4E (0.39) KDM5AKDM5BKDM4AKDM6BKDM4D
SCHEMBL25148783 0.80 KDM4E (0.39) KDM5AKDM5BKDM4AKDM6BKDM4D
SCHEMBL15614393 0.77 DAO (0.46) KDM5AKDM5BACMSDDAOHCAR2
SCHEMBL25148772 0.76 DAO (0.34) KDM5AKDM5BKDM4AKDM6BKDM4D
SCHEMBL17016660 0.74 DAO (0.46) KDM4EDAOALDH1A1HPGDHSD17B10
SCHEMBL11840491 0.74 DAO (0.46) DAOGAAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed
US-3948903-A Substituted N-(1,2-dihydro-2-oxonicotinyl)-cephalexins and -cephaloglycins PARKE, DAVIS & COMPANY (US) 1976-04-06 US disclosed