SCHEMBL17033698

SCHEMBL17033698

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c(nc8c9ccccc9c9ccccc9n78)c65)cc4)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HDAC4 P56524 1/20 0.32
RXRA P19793 1/20 0.31
OXTR P30559 1/20 0.30
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NR3C1 P04150 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17033665 0.99 KDM4E (0.36) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033723 0.95 NR3C1 (0.32) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033473 0.92 KDM4E (0.33) KDM4EATMALDH1A1HPGDKMT2A
SCHEMBL17033700 0.91 GAA (0.33) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033895 0.90 KDM4E (0.31) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033447 0.90 KDM4E (0.35) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033697 0.89 GAA (0.34) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033722 0.87 MEN1 (0.33) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033676 0.86 KDM4E (0.34) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033678 0.85 GAA (0.36) KDM4EATML3MBTL1ALDH1A1HPGD

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