SCHEMBL9045010

SCHEMBL9045010

C#CCc1c(-c2ccccc2)nc(C(C)C)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.47
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 1/20 0.37
KDM5B Q9UGL1 4/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5D Q9BY66 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
CYP1A2 P05177 2/20 0.35
GLA P06280 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9044587 0.85 KDM5A (0.46) KDM5AKDM4EALDH1A1HPGDADORA2B
SCHEMBL9044604 0.82 KDM5A (0.50) KDM5AKDM4EALDH1A1GAAHPGD
SCHEMBL9044437 0.78 KDM5A (0.46) KDM5AKDM4EALDH1A1GAAHPGD
SCHEMBL11808587 0.71 ADORA1 (0.51) KDM4EALDH1A1GAAHPGDADORA2B
SCHEMBL9044140 0.71 KDM5A (0.47) KDM5AKDM4EALDH1A1HPGDADORA2B
SCHEMBL23105448 0.70 CNR1 (0.48) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL9045877 0.69 KDM5A (0.46) KDM5AKDM4EALDH1A1HPGDADORA2B
SCHEMBL14953694 0.69 CNR1 (0.41) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL9045892 0.67 CYP1A2 (0.58) KDM5AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL6979700 0.66 KDM4E (0.60) KDM4EALDH1A1CYP1A2USP2CYP2C9

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
EP-0579425-B1 6-arylpyrimidines and herbicidal use thereof ROHM & HAAS (US) 1996-10-09 EP claimed