SCHEMBL28244686

SCHEMBL28244686

O=C(Cl)c1ccnc(F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
KDM5A P29375 2/20 0.35
KDM3A Q9Y4C1 2/20 0.35
JMJD1C Q15652 1/20 0.35
ALDH1A1 P00352 4/20 0.33
CD38 P28907 3/20 0.33
ASPH Q12797 2/20 0.33
KDM8 Q8N371 2/20 0.33
ALOX15 P16050 1/20 0.33
KMO O15229 6/20 0.33
P2RX7 Q99572 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM6B O15054 1/20 0.31
TET3 O43151 1/20 0.31
KDM4A O75164 1/20 0.31
BBOX1 O75936 1/20 0.31
KDM5C P41229 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
TET2 Q6N021 1/20 0.31

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
SCHEMBL7695328 0.81 KDM4E (0.53) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL31000446 0.79 ADORA3 (0.41) KDM4EKDM5AKDM3AJMJD1CPIM1
SCHEMBL2042821 0.78 KDM4E (0.38) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL30368390 0.77 KMO (0.37) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL21173935 0.77 KMO (0.37) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL3053770 0.77 LMNA (0.39) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL14294143 0.75 KDM4E (0.35) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL14192611 0.75 SORT1 (0.39) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL19361039 0.75 KDM4E (0.33) KDM4EKDM5AKDM3AJMJD1CASPH
SCHEMBL27287238 0.75 MAPT (0.45) KDM4EKDM3AALDH1A1ALOX15MAPT

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-108473478-A TBK/IKK inhibitor compounds and uses thereof 默克专利有限公司 2018-08-31 CN disclosed