SCHEMBL31364060

SCHEMBL31364060

O=c1ccn2[nH]cnc(=O)c2c1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.43
KDM4E B2RXH2 1/20 0.34
KDM6A O15550 1/20 0.34
KDM4A O75164 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM5C P41229 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
DOHH Q9BU89 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
COMT P21964 1/20 0.30

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
SCHEMBL31364102 0.69 HTT (0.47) EGLN1
SCHEMBL31363913 0.57 EGLN1 (0.40) EGLN1KDM4EKDM6AKDM4ACYP2C9
SCHEMBL2270859 0.54
SCHEMBL15264650 0.54 KDM4E (0.45) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL31022844 0.54 KDM4E (0.45) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL4549933 0.52 KDM4E (0.57) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL15966900 0.52 PDE3B (0.35) EGLN1
Hydrochloric Acid SCHEMBL31516277 0.52 EGLN1 (0.39) EGLN1
Deferiprone SCHEMBL94474 0.52 KDM4E (1.00) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL18117860 0.51 KDM4E (0.60) KDM4EKDM6AKDM4ACYP2C9CYP2C19

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-119176807-A Alpha-hydroxy ketone nitrogen-containing fused ring compound and application thereof 北京英飞智药科技有限公司 2024-12-24 CN disclosed