SCHEMBL17033889

SCHEMBL17033889

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)cc3)nc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
WHR1 P49842 1/20 0.36
PDK1 Q15118 2/20 0.36
HPGD P15428 3/20 0.35
ADORA2A P29274 1/20 0.34
NUDT1 P36639 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACP1 P24666 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
PDE5A O76074 3/20 0.32
LMNA P02545 1/20 0.32
GBA1 P04062 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL17033903 0.99 MEN1 (0.45) ATMMEN1KMT2AWHR1PDK1
SCHEMBL17033923 0.92 HPGD (0.41) ATMMEN1KMT2APDK1HPGD
SCHEMBL17033900 0.91 MEN1 (0.38) ATMMEN1KMT2AWHR1PDK1
SCHEMBL17033449 0.90 KDM4E (0.38) ATMMEN1KMT2AHPGDKDM4E
SCHEMBL17033438 0.89 L3MBTL1 (0.37) ATMMEN1KMT2AHPGDKDM4E
SCHEMBL23370433 0.86 MEN1 (0.55) ATMMEN1KMT2AWHR1PDK1
SCHEMBL23370346 0.86 ATM (0.55) ATMMEN1KMT2AWHR1PDK1
SCHEMBL23370432 0.86 ATM (0.55) ATMMEN1KMT2AWHR1PDK1
SCHEMBL19507464 0.85 ATM (0.51) ATMMEN1KMT2AWHR1HPGD
SCHEMBL23370350 0.85 MEN1 (0.53) ATMMEN1KMT2AWHR1PDK1

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