SCHEMBL31635

SCHEMBL31635

c1ccc(N(c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
PTPN1 P18031 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK8 P45983 1/20 0.33
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
TSHR P16473 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PDE7A Q13946 1/20 0.32
BACE1 P56817 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL31639 0.99 KDM4E (0.50) KDM4EL3MBTL1ATMF2F10
SCHEMBL24946735 0.95 KDM4E (0.45) KDM4EL3MBTL1ATMF2F10
SCHEMBL16404891 0.94 KDM4E (0.50) KDM4EL3MBTL1ATMF2F10
SCHEMBL19342687 0.93 KDM4E (0.47) KDM4EL3MBTL1ATMF2F10
SCHEMBL28516756 0.93 KDM4E (0.50) KDM4EL3MBTL1ATMF2F10
SCHEMBL12559396 0.93 KDM4E (0.50) KDM4EL3MBTL1ATMF2F10
SCHEMBL28522567 0.93 KDM4E (0.50) KDM4EL3MBTL1ATMF2F10
SCHEMBL12559390 0.93 KDM4E (0.50) KDM4EL3MBTL1ATMF2F10
SCHEMBL12242939 0.92 KDM4E (0.51) KDM4EL3MBTL1ATMF2F10
SCHEMBL24514776 0.92 KDM4E (0.48) KDM4EL3MBTL1ATMF2F10

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
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 WO disclosed