SCHEMBL17033562

SCHEMBL17033562

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4cc6c7ccccc7c7ccccc7n6c45)c3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
CYP19A1 P11511 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17033553 0.91 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL17033558 0.90 ATM (0.41) KDM4EATML3MBTL1PDE10AJAK2
SCHEMBL16066791 0.90 KDM4E (0.33) KDM4EATML3MBTL1PDE10A
SCHEMBL17033382 0.88 KDM4E (0.37) KDM4EATML3MBTL1PDE10AJAK2
SCHEMBL17033602 0.87 KDM4E (0.33) KDM4EATML3MBTL1PDE10ACYP19A1
SCHEMBL17033575 0.87 KDM4E (0.38) KDM4EATML3MBTL1JAK2JAK3
SCHEMBL17033556 0.86 KDM4E (0.35) KDM4EATML3MBTL1PDE10A
SCHEMBL17033560 0.86 KDM4E (0.34) KDM4ETSHRHSD17B10
SCHEMBL17033561 0.86 KDM4E (0.37) KDM4EATML3MBTL1PDE10AJAK2
SCHEMBL17033552 0.85 HTR1A (0.41) KDM4EATML3MBTL1

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