SCHEMBL17033449

SCHEMBL17033449

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 2/20 0.38
KMT2A Q03164 6/20 0.34
MEN1 O00255 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
RXRA P19793 1/20 0.33
PTGER4 P35408 1/20 0.33
RAC2 P15153 1/20 0.33
RAC3 P60763 1/20 0.33
CDC42 P60953 1/20 0.33
RAC1 P63000 1/20 0.33
NR3C1 P04150 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC4 P56524 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL17033438 0.99 L3MBTL1 (0.37) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL17033441 0.94 KDM4E (0.34) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL17033448 0.91 KDM4E (0.35) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL17033454 0.90 KDM4E (0.36) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL17033775 0.90 MEN1 (0.33) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL17033889 0.90 ATM (0.46) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL17033444 0.90 KDM4E (0.33) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL17033893 0.89 KDM4E (0.33) KDM4EL3MBTL1ATMTSHRHSD17B10
SCHEMBL17033747 0.89 KDM4E (0.38) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL17033903 0.89 MEN1 (0.45) KDM4EL3MBTL1ATMKMT2AMEN1

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed