SCHEMBL17033499

SCHEMBL17033499

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc6c(cc54)cc4c5ccccc5c5ccccc5n64)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DHODH Q02127 2/20 0.33
NPY5R Q15761 2/20 0.33
MCL1 Q07820 2/20 0.32
XDH P47989 1/20 0.32
ACHE P22303 1/20 0.31
CYP19A1 P11511 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.31
TSPO P30536 1/20 0.31
ATM Q13315 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
SCHEMBL17033470 0.99 KDM4E (0.36) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033411 0.96 HSD17B10 (0.38) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033475 0.93 KDM4E (0.34) KDM4ETSHRHSD17B10NPY5RCYP19A1
SCHEMBL16066212 0.92 KDM4E (0.34) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033523 0.89 MAPT (0.41) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL16066402 0.89 KDM4E (0.35) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL16067240 0.89 KDM4E (0.35) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL16067025 0.88 KDM4E (0.33) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL16362425 0.87 ACHE (0.36) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033825 0.87 KDM4E (0.35) KDM4ETSHRHSD17B10MEN1KMT2A

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