SCHEMBL17033799

SCHEMBL17033799

c1ccc(-c2cc(-n3c4ccccc4c4c5cc6c7ccccc7c7ccccc7n6c5ccc43)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 3/20 0.41
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 3/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 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
SCHEMBL17033801 0.88 KDM4E (0.36) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17033559 0.87 MAPT (0.40) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17033825 0.87 KDM4E (0.35) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17033453 0.87 MAPT (0.43) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL16066357 0.86 MAPT (0.41) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL19890595 0.86 MAPT (0.41) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL16066248 0.86 MAPT (0.41) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL16066844 0.85 MAPT (0.40) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17033787 0.85 KDM4E (0.33) MAPTNPSR1TSHRHSD17B10HPGD
SCHEMBL20226312 0.85 MAPT (0.46) MAPTMAPK1NPSR1TSHRHSD17B10

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