SCHEMBL17033772

SCHEMBL17033772

c1ccc(-c2ccc3c(c2)c2cc4cc5c6ccccc6c6ccccc6n5c4cc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER4 P35408 3/20 0.35
NPY5R Q15761 3/20 0.35
TSPO P30536 2/20 0.34
PDE10A Q9Y233 1/20 0.33
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DNM1 Q05193 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL17033752 0.98 KDM4E (0.38) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033620 0.97 KDM4E (0.38) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033617 0.95 KDM4E (0.38) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033598 0.94 KDM4E (0.40) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033773 0.94 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033774 0.94 KDM4E (0.37) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033486 0.93 KDM4E (0.39) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033728 0.92 KDM4E (0.37) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033639 0.91 KDM4E (0.37) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033746 0.91 MAPT (0.37) ATMPTGER4NPY5RTSHRKMT2A

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