SCHEMBL17033561

SCHEMBL17033561

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4cc6c7ccccc7c7ccccc7n6c45)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.31
ABCG2 Q9UNQ0 3/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
PDE10A Q9Y233 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 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
SCHEMBL17033563 0.98 KDM4E (0.35) KDM4EATML3MBTL1KMT2APDE10A
SCHEMBL17033556 0.96 KDM4E (0.35) KDM4EATML3MBTL1KMT2APDE10A
SCHEMBL17033553 0.94 KDM4E (0.35) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL17033578 0.91 ATM (0.39) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL17033558 0.91 ATM (0.41) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL17033574 0.90 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL17033579 0.90 ATM (0.38) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL16066864 0.89 KDM4E (0.35) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL17033392 0.89 KDM4E (0.32) KDM4EATML3MBTL1KMT2ATSHR
SCHEMBL17033794 0.87 KDM4E (0.40) KDM4EATML3MBTL1KMT2AABCG2

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