SCHEMBL20125332

SCHEMBL20125332

ON=Cc1ccnc2cc(C(O)c3ccccc3Cl)[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.62
KDM5A P29375 13/20 0.42
CHEK2 O96017 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM5B Q9UGL1 2/20 0.34
KDM4A O75164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL20125349 0.87 KDM4C (0.58) KDM4CKDM5ACYP1A2CYP2C9CYP2C19
SCHEMBL16148957 0.77 KDM4C (1.00) KDM4CKDM5AKDM5BKDM4A
SCHEMBL20125360 0.74 KDM4C (0.65) KDM4CKDM5AL3MBTL1KDM4EMAPK1
SCHEMBL16149482 0.73 KDM4C (0.76) KDM4CKDM5AKDM5BKDM4A
SCHEMBL20125475 0.70 KDM5A (0.56) KDM4CKDM5AKDM4EMAPK1KDM5B
SCHEMBL20125287 0.70 KDM5A (0.33) KDM5AL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL20125307 0.66 KDM5A (0.71) KDM4CKDM5AALDH1A1KDM5BKDM4A
SCHEMBL20125370 0.65 KDM5A (0.62) KDM4CKDM5AKDM5BKDM4A
SCHEMBL20125340 0.65 KDM4C (0.64) KDM4CKDM5AKDM4EMAPK1KDM5B
SCHEMBL15841249 0.64 MAPT (0.53) CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1

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