SCHEMBL17033559

SCHEMBL17033559

c1ccc(-c2cc(-n3c4ccccc4c4c3ccc3cc5c6ccccc6c6ccccc6n5c34)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.39
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NTSR1 P30989 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL16066812 0.89 MAPT (0.39) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17033560 0.89 KDM4E (0.34) MAPTTSHRHSD17B10HPGDALDH1A1
SCHEMBL17033832 0.88 KDM4E (0.33) MAPTTSHRHSD17B10HPGDMEN1
SCHEMBL17033799 0.87 MAPT (0.42) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL20068528 0.87 MAPT (0.37) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17033624 0.86 MAPT (0.41) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17033392 0.86 KDM4E (0.32) MAPTTSHRHSD17B10HPGDMEN1
SCHEMBL17033557 0.85 MAPT (0.33) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17033553 0.85 KDM4E (0.35) MAPTHPGDMEN1KMT2ANTSR1
SCHEMBL17033844 0.84 MEN1 (0.31) MAPTTSHRHSD17B10HPGDMEN1

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