SCHEMBL17033697

SCHEMBL17033697

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(nc7c8ccccc8c8ccccc8n67)c54)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
MAPT P10636 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ABCG2 Q9UNQ0 4/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17033722 0.98 MEN1 (0.33) GAAMEN1KMT2AKDM4EATM
SCHEMBL17033700 0.96 GAA (0.33) GAAMEN1KMT2AKDM4EATM
SCHEMBL17033720 0.94 MEN1 (0.34) GAAMEN1KMT2AKDM4EATM
SCHEMBL17033678 0.92 GAA (0.36) GAAMEN1KMT2AKDM4EATM
SCHEMBL17033723 0.91 NR3C1 (0.32) KDM4EATML3MBTL1POLBALDH1A1
SCHEMBL17033895 0.90 KDM4E (0.31) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033665 0.90 KDM4E (0.36) MEN1KMT2AKDM4EATML3MBTL1
SCHEMBL17033698 0.89 KDM4E (0.35) MEN1KMT2AKDM4EATML3MBTL1
SCHEMBL17033447 0.88 KDM4E (0.35) GAAMEN1KMT2AKDM4EATM
SCHEMBL17033509 0.87 KDM4E (0.39) GAAMEN1KMT2AKDM4EATM

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