SCHEMBL3720002

SCHEMBL3720002

O=C(NC1COC1)c1ncccc1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.50
FTO Q9C0B1 1/20 0.50
TLR7 Q9NYK1 5/20 0.48
PDE10A Q9Y233 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
PIM1 P11309 1/20 0.43
GRM4 Q14833 4/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
HTR3A P46098 4/20 0.42
ELANE P08246 1/20 0.40

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
SCHEMBL7457012 0.84 GRM4 (0.53) TLR7PDE10AKDM4EALDH1A1GAA
SCHEMBL5583848 0.82 ALDH1A1 (0.66) EGLN2FTOKDM4EALDH1A1GAA
SCHEMBL14284346 0.82 ALDH1A1 (0.66) EGLN2FTOKDM4EALDH1A1GAA
SCHEMBL7457007 0.81 KDM4E (0.48) PDE10AKDM4EALDH1A1GAAGRM4
SCHEMBL14159861 0.81 KDM4E (0.50) EGLN2FTOTLR7KDM4EALDH1A1
SCHEMBL26856718 0.80 ADORA2A (0.46) PDE10AKDM4EALDH1A1GAAGRM4
SCHEMBL21490080 0.79 SMYD3 (0.51) EGLN2FTOTLR7KDM4EALDH1A1
SCHEMBL19701397 0.79 SMYD3 (0.51) EGLN2FTOTLR7KDM4EALDH1A1
SCHEMBL14159695 0.76 EGLN2 (0.45) EGLN2FTOTLR7KDM4EALDH1A1
SCHEMBL23575882 0.75 SMYD3 (0.65)

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-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed