SCHEMBL17033700

SCHEMBL17033700

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccc7c(nc8c9ccccc9c9ccccc9n78)c65)c4)cc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HPGD P15428 1/20 0.30
OPRD1 P41143 1/20 0.30
NR3C1 P04150 1/20 0.30
MAPT P10636 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 0.96 MEN1 (0.33) GAAMEN1KMT2AKDM4EATM
SCHEMBL17033697 0.96 GAA (0.34) GAAMEN1KMT2AKDM4EATM
SCHEMBL17033678 0.95 GAA (0.36) GAAMEN1KMT2AKDM4EATM
SCHEMBL17033723 0.93 NR3C1 (0.32) KDM4EATML3MBTL1ALDH1A1POLB
SCHEMBL17033698 0.91 KDM4E (0.35) MEN1KMT2AKDM4EATML3MBTL1
SCHEMBL17033895 0.91 KDM4E (0.31) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033665 0.90 KDM4E (0.36) MEN1KMT2AKDM4EATML3MBTL1
SCHEMBL17033720 0.90 MEN1 (0.34) GAAMEN1KMT2AKDM4EATM
SCHEMBL17033519 0.88 HSD17B1 (0.37) GAAMEN1KMT2AKDM4EATM
SCHEMBL17033719 0.88 MAPT (0.34) 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