SCHEMBL17033719

SCHEMBL17033719

c1cc(-c2ccncc2)cc(-n2c3ccccc3c3ccc4c(nc5c6ccccc6c6ccccc6n45)c32)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
GRM5 P41594 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
POLB P06746 1/20 0.32
KCNH2 Q12809 1/20 0.32
DHFR P00374 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL17033678 0.93 GAA (0.36) MAPTMEN1KMT2AGAAPOLB
SCHEMBL17033690 0.90 MAPT (0.41) MAPTMEN1GRM5HSD17B1HSD17B2
SCHEMBL17033700 0.88 GAA (0.33) MAPTMEN1KMT2AGAAPOLB
SCHEMBL17033519 0.87 HSD17B1 (0.37) MEN1KMT2AGAAHSD17B1HSD17B2
SCHEMBL17033509 0.86 KDM4E (0.39) MEN1KMT2AGAAPOLBKDM4E
SCHEMBL17033722 0.86 MEN1 (0.33) MAPTMEN1KMT2AGAAPOLB
SCHEMBL17033697 0.86 GAA (0.34) MAPTMEN1KMT2AGAAPOLB
SCHEMBL17033676 0.85 KDM4E (0.34) MEN1KMT2AGAAPOLBKDM4E
SCHEMBL17033699 0.85 MEN1 (0.33) MEN1KMT2AGAAPOLBKDM4E
SCHEMBL17033695 0.85 HTR1A (0.38) GRM5POLBDHFR

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