SCHEMBL17033903

SCHEMBL17033903

c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc7c(cc8c9ccccc9c9ccccc9n87)c65)cc4)nc4ccccc34)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 2/20 0.45
WHR1 P49842 1/20 0.36
PDK1 Q15118 2/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
ADORA2A P29274 1/20 0.33
NUDT1 P36639 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
ACP1 P24666 3/20 0.32
HSP90AA1 P07900 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
PDE5A O76074 2/20 0.32
LMNA P02545 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
SCHEMBL17033889 0.99 ATM (0.46) MEN1KMT2AATMWHR1PDK1
SCHEMBL17033923 0.93 HPGD (0.41) MEN1KMT2AATMPDK1HPGD
SCHEMBL17033900 0.90 MEN1 (0.38) MEN1KMT2AATMWHR1PDK1
SCHEMBL17033438 0.90 L3MBTL1 (0.37) MEN1KMT2AATMHPGDKDM4E
SCHEMBL17033449 0.89 KDM4E (0.38) MEN1KMT2AATMHPGDKDM4E
SCHEMBL23370433 0.88 MEN1 (0.55) MEN1KMT2AATMWHR1PDK1
SCHEMBL23370350 0.87 MEN1 (0.53) MEN1KMT2AATMWHR1PDK1
SCHEMBL19654057 0.87 MEN1 (0.53) MEN1KMT2AATMWHR1PDK1
SCHEMBL17033441 0.86 KDM4E (0.34) MEN1KMT2AATMHPGDKDM4E
SCHEMBL23370344 0.86 MEN1 (0.47) MEN1KMT2AATMWHR1PDK1

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