SCHEMBL17033688

SCHEMBL17033688

c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(nc6c7ccccc7c7ccccc7n56)c43)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 3/20 0.38
ADORA1 P30542 2/20 0.33
ADORA2A P29274 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
NTSR1 P30989 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
PIK3CA P42336 2/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL17033493 0.98 MAPT (0.38) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL17033476 0.88 KDM4E (0.33) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL17033471 0.88 PIK3CA (0.36) MAPTMEN1KMT2AALDH1A1PIK3CA
SCHEMBL17033705 0.85 KDM4E (0.33) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL17033447 0.85 KDM4E (0.35) MAPTTSHRHSD17B10HPGDMEN1
SCHEMBL17033720 0.85 MEN1 (0.34) MAPTMAPK1TSHRNPSR1HPGD
SCHEMBL17033696 0.84 KDM4E (0.32) TSHRHSD17B10HPGDALDH1A1KDM4E
SCHEMBL16066339 0.83 HPGD (0.45) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL17033539 0.83 MAPT (0.32) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL20367878 0.83 MAPT (0.41) MAPTMAPK1TSHRNPSR1HSD17B10

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