SCHEMBL17033608

SCHEMBL17033608

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 4/20 0.41
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
ALDH1A1 P00352 3/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32
ACHE P22303 1/20 0.31
NPY5R Q15761 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL17033407 0.98 MAPT (0.41) MAPTTSHRHSD17B10MAPK1NPSR1
SCHEMBL17033453 0.96 MAPT (0.43) MAPTTSHRHSD17B10MAPK1NPSR1
SCHEMBL17033523 0.94 MAPT (0.41) MAPTTSHRHSD17B10MAPK1NPSR1
SCHEMBL16067015 0.91 MAPT (0.42) MAPTTSHRHSD17B10MAPK1NPSR1
SCHEMBL16066211 0.89 MAPT (0.43) MAPTTSHRHSD17B10MAPK1NPSR1
SCHEMBL13086982 0.87 MAPT (0.48) MAPTTSHRHSD17B10MAPK1NPSR1
SCHEMBL17033411 0.87 HSD17B10 (0.38) MAPTTSHRHSD17B10MAPK1HPGD
SCHEMBL16067239 0.87 MAPT (0.41) MAPTTSHRHSD17B10MAPK1NPSR1
SCHEMBL16066401 0.87 MAPT (0.41) MAPTTSHRHSD17B10MAPK1NPSR1
SCHEMBL17033415 0.87 PARP1 (0.38) MAPTMAPK1KMT2AMEN1LMNA

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