SCHEMBL17033728

SCHEMBL17033728

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc6cc7c8ccccc8c8ccccc8n7c6cc54)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER4 P35408 1/20 0.36
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.34
NPY5R Q15761 2/20 0.34
NTSR1 P30989 1/20 0.33
GLA P06280 1/20 0.32
TSPO P30536 1/20 0.31
PTGES O14684 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL17033773 0.98 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL17033612 0.95 KDM4E (0.38) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL17033752 0.94 KDM4E (0.38) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL17033772 0.92 KDM4E (0.35) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL17033724 0.92 DHODH (0.36) MAPTNPY5R
SCHEMBL17033467 0.92 KDM4E (0.39) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL17033617 0.88 KDM4E (0.38) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL17033620 0.88 KDM4E (0.38) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL17033598 0.88 KDM4E (0.40) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL6372646 0.88 KDM4E (0.47) KDM4EATML3MBTL1PTGER4KMT2A

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