SCHEMBL20125301

SCHEMBL20125301

COc1ccc(-c2cc3nccc(C=O)c3[nH]2)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.67
KDM5A P29375 4/20 0.67
KDM5B Q9UGL1 3/20 0.67
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CYP19A1 P11511 1/20 0.39
TLR8 Q9NR97 1/20 0.38
GSK3B P49841 3/20 0.38
GSK3A P49840 2/20 0.38
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CCNB3 Q8WWL7 2/20 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
SCHEMBL20125325 0.85 KDM4C (0.60) KDM4CKDM5AKDM5BKDM4EMAPK1
SCHEMBL16149595 0.80 KDM4C (1.00) KDM4CKDM5AKDM5BLMNA
SCHEMBL20125364 0.80 KDM4C (0.65) KDM4CKDM5AKDM5BKDM4EALDH1A1
SCHEMBL16149249 0.79 KDM4C (0.81) KDM4CKDM5AKDM5BKDM4ETLR8
SCHEMBL21204906 0.76 KDM4C (0.70) KDM4CKDM5AKDM5BKDM4EMAPK1
SCHEMBL7060431 0.73 KDM4C (0.47) KDM4CKDM5AKDM5BKDM4EMAPK1
SCHEMBL7608317 0.72 PDE2A (0.44) KDM4CKDM5AKDM5BKDM4EALDH1A1
SCHEMBL590873 0.70 KDM4E (0.68) KDM4EMAPK1NPSR1ALDH1A1TRIM24
SCHEMBL135243 0.69 ALDH1A1 (0.66) KDM4EALDH1A1TRIM24TYRTRIM33
SCHEMBL2933117 0.69 KDM4E (0.55) KDM4EMAPK1NPSR1ALDH1A1TRIM24

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-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed