SCHEMBL23739016

SCHEMBL23739016

c1ccc(-c2cc(-n3c4cc5c(cc4c4ccc6ccccc6c43)C3(c4ccccc4S5)c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL23184926 0.96 MAPT (0.33) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL23738896 0.89
SCHEMBL23185083 0.89
SCHEMBL23184610 0.88 MAPT (0.35) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL20199609 0.88 MAPT (0.37) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL23738757 0.88
SCHEMBL23738800 0.88 MAPT (0.33) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL23738818 0.88
SCHEMBL20199735 0.87 MAPT (0.36) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL23184282 0.86 MAPT (0.34) 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
EP-3388438-B1 SPIRO-STRUCTURED COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2021-08-11 EP disclosed