SCHEMBL17033609

SCHEMBL17033609

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5cc6c7ccccc7c7ccccc7n6c5cc43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
MAPT P10636 5/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ACHE P22303 1/20 0.33
HTT P42858 1/20 0.33
NPY5R Q15761 1/20 0.33
PARP1 P09874 1/20 0.33
ATM Q13315 3/20 0.33
AGTR1 P30556 1/20 0.32

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
SCHEMBL17033406 0.97 L3MBTL1 (0.34) KDM4ETSHRHSD17B10L3MBTL1MAPT
SCHEMBL17033483 0.96 L3MBTL1 (0.35) KDM4ETSHRHSD17B10L3MBTL1MAPT
SCHEMBL17033502 0.94 L3MBTL1 (0.35) KDM4ETSHRHSD17B10L3MBTL1MAPT
SCHEMBL17033618 0.93 KDM4E (0.33) KDM4ETSHRHSD17B10MAPTKMT2A
SCHEMBL17033408 0.90 MAPK1 (0.41) KDM4ETSHRHSD17B10L3MBTL1MAPT
SCHEMBL16066962 0.90 L3MBTL1 (0.35) KDM4ETSHRL3MBTL1MAPTMAPK1
SCHEMBL17033477 0.89 NPY5R (0.31) KDM4ETSHRHSD17B10L3MBTL1MAPT
SCHEMBL17033420 0.88 NPY5R (0.39) KDM4ETSHRHSD17B10MAPTMAPK1
SCHEMBL17033607 0.88 KDM4E (0.36) KDM4ETSHRHSD17B10L3MBTL1MAPT
SCHEMBL16066166 0.88 L3MBTL1 (0.35) KDM4ETSHRL3MBTL1MAPTMAPK1

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