SCHEMBL23738840

SCHEMBL23738840

c1ccc2c(c1)Sc1c(ccc3c4c5ccccc5ccc4n(-c4cccc5ccccc45)c13)C21c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
BCHE P06276 2/20 0.32
POLB P06746 1/20 0.32
SLC6A3 Q01959 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL23184528 0.94 TDP1 (0.32) TDP1BCHEPOLB
SCHEMBL23739069 0.90
SCHEMBL23184214 0.89 BCHE (0.33) TDP1BCHEPOLBSLC6A3GSK3A
SCHEMBL23185145 0.89 TDP1 (0.34) TDP1BCHEPOLBSLC6A3GSK3A
SCHEMBL23738957 0.88 KDM4E (0.31) KDM4E
SCHEMBL23738987 0.88
SCHEMBL23184647 0.87 BCHE (0.32) BCHEPOLBSLC6A3GSK3AGSK3B
SCHEMBL23738841 0.87 MEN1 (0.33) TDP1MEN1MAPTKMT2A
SCHEMBL23738839 0.87
SCHEMBL23738955 0.85

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