SCHEMBL17033645

SCHEMBL17033645

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccc7cc8c9ccccc9c9ccccc9n8c7c65)cc4)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR3C1 P04150 1/20 0.31
FGFR1 P11362 1/20 0.31
GP6 Q9HCN6 1/20 0.31
HDAC4 P56524 1/20 0.31
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HSD17B1 P14061 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B2 P37059 1/20 0.30
RXRA P19793 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
SCHEMBL17033625 0.96 ATM (0.36) KDM4EATML3MBTL1NR3C1FGFR1
SCHEMBL17033656 0.94 ATM (0.37) KDM4EATML3MBTL1HDAC4KMT2A
SCHEMBL17033660 0.92 KDM4E (0.34) KDM4EATML3MBTL1KMT2A
SCHEMBL17033605 0.92 PDE10A (0.34) KDM4EATML3MBTL1FGFR1KMT2A
SCHEMBL16067213 0.91 KDM4E (0.33) KDM4EATML3MBTL1NR3C1GP6
SCHEMBL17033601 0.90 KDM4E (0.36) KDM4EATML3MBTL1KMT2A
SCHEMBL17033604 0.90 GP6 (0.33) KDM4EFGFR1GP6
SCHEMBL21365573 0.89 L3MBTL1 (0.44) KDM4EATML3MBTL1NR3C1HDAC4
SCHEMBL21365578 0.89 L3MBTL1 (0.44) KDM4EATML3MBTL1NR3C1HDAC4
SCHEMBL22596033 0.89 L3MBTL1 (0.44) KDM4EATML3MBTL1NR3C1HDAC4

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