SCHEMBL20068528

SCHEMBL20068528

c1ccc(-c2cc(-n3c4ccccc4c4c5cc6c7cccc8c9ccccc9n(c6cc5ccc43)c87)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 3/20 0.36
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
ALDH1A1 P00352 2/20 0.30
NTSR1 P30989 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL19890595 0.88 MAPT (0.41) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL17033559 0.87 MAPT (0.40) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL17265071 0.86 MAPT (0.42) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL20068495 0.85 MEN1 (0.34) MAPTNPSR1HPGDADORA2AADORA1
SCHEMBL17033799 0.84 MAPT (0.42) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL16066812 0.83 MAPT (0.39) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL20068494 0.83 KDM4E (0.32) TSHRHSD17B10KDM4E
SCHEMBL20444622 0.82 MAPT (0.37) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL22036724 0.82 MAPT (0.42) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL22036066 0.82 MAPT (0.42) MAPTTSHRMAPK1NPSR1HSD17B10

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-2018070824-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-04-19 WO disclosed