SCHEMBL28874802

SCHEMBL28874802

CNc1c(C#N)c(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 18/20 0.63
KDM4E B2RXH2 1/20 0.42
S1PR4 O95977 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL30039373 1.00 MAT2A (0.63) MAT2AKDM4ES1PR4ALDH1A1GLA
SCHEMBL30040045 0.89 MAT2A (0.48) MAT2AKDM4ES1PR4ALDH1A1GLA
SCHEMBL28874812 0.89 MAT2A (0.48) MAT2AKDM4ES1PR4ALDH1A1GLA
SCHEMBL28978589 0.88 MAT2A (0.48) MAT2AKDM4EALDH1A1GAA
SCHEMBL30038981 0.87 MAT2A (0.59) MAT2AKDM4ES1PR4ALDH1A1GLA
SCHEMBL28874822 0.87 MAT2A (0.59) MAT2AKDM4ES1PR4ALDH1A1GLA
SCHEMBL28874817 0.87 MAT2A (0.54) MAT2AKDM4ES1PR4ALDH1A1GLA
SCHEMBL30039400 0.87 MAT2A (0.54) MAT2AKDM4ES1PR4ALDH1A1GLA
SCHEMBL28874829 0.86 ALDH1A1 (0.46) MAT2AKDM4ES1PR4ALDH1A1GLA
SCHEMBL30039304 0.86 ALDH1A1 (0.46) MAT2AKDM4ES1PR4ALDH1A1GLA

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-115260187-A Pyridone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-11-01 CN disclosed