SCHEMBL17033491

SCHEMBL17033491

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)cc5c6ccccc6c6ccccc6n75)cc4)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC4 P56524 1/20 0.36
RAC2 P15153 1/20 0.35
RAC3 P60763 1/20 0.35
CDC42 P60953 1/20 0.35
RAC1 P63000 1/20 0.35
PTGER4 P35408 1/20 0.35
NPY5R Q15761 2/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.33
MAPT P10636 2/20 0.33
RXRA P19793 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TSHR P16473 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
SCHEMBL17033474 0.99 L3MBTL1 (0.42) ATMKDM4EL3MBTL1HDAC4RAC2
SCHEMBL17033623 0.96 KDM4E (0.41) ATMKDM4EL3MBTL1HDAC4RAC2
SCHEMBL17033600 0.95 L3MBTL1 (0.41) ATMKDM4EL3MBTL1HDAC4RAC2
SCHEMBL16066172 0.93 ATM (0.41) ATMKDM4EL3MBTL1HDAC4RAC2
SCHEMBL17033639 0.92 KDM4E (0.37) ATMKDM4EL3MBTL1HDAC4RAC2
SCHEMBL17033486 0.92 KDM4E (0.39) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL17033505 0.91 NPY5R (0.35) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL16066206 0.91 L3MBTL1 (0.42) ATMKDM4EL3MBTL1HDAC4RAC2
SCHEMBL16067231 0.90 ATM (0.40) ATMKDM4EL3MBTL1HDAC4RAC2
SCHEMBL16066448 0.90 ATM (0.40) ATMKDM4EL3MBTL1HDAC4RAC2

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