SCHEMBL17033923

SCHEMBL17033923

c1cncc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc7c(cc8c9ccccc9c9ccccc9n87)c65)cc4)nc4ccccc34)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ATM Q13315 1/20 0.39
PDK1 Q15118 1/20 0.39
CYP1A2 P05177 7/20 0.39
CYP3A4 P08684 7/20 0.39
ALDH1A1 P00352 7/20 0.39
CLK4 Q9HAZ1 6/20 0.39
CYP2D6 P10635 5/20 0.39
TSHR P16473 5/20 0.39
CYP2C9 P11712 3/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 4/20 0.36
HSD17B10 Q99714 4/20 0.36
LMNA P02545 5/20 0.36
USP2 O75604 4/20 0.36
GBA1 P04062 4/20 0.36
PDE5A O76074 4/20 0.36
MAPK1 P28482 3/20 0.36

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 0.93 MEN1 (0.45) HPGDMEN1KMT2AATMPDK1
SCHEMBL17033889 0.92 ATM (0.46) HPGDMEN1KMT2AATMPDK1
SCHEMBL17033901 0.87 DHODH (0.39) HPGDATMALDH1A1LMNAGBA1
SCHEMBL17033900 0.84 MEN1 (0.38) MEN1KMT2AATMPDK1
SCHEMBL17033438 0.83 L3MBTL1 (0.37) HPGDMEN1KMT2AATMALDH1A1
SCHEMBL17033449 0.82 KDM4E (0.38) HPGDMEN1KMT2AATMALDH1A1
SCHEMBL23370433 0.81 MEN1 (0.55) HPGDMEN1KMT2AATMPDK1
SCHEMBL17033748 0.81 DHODH (0.41) CYP2C9PDE5AMAPTDHODH
SCHEMBL19654057 0.80 MEN1 (0.53) HPGDMEN1KMT2AATMPDK1
SCHEMBL23370350 0.80 MEN1 (0.53) HPGDMEN1KMT2AATMPDK1

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