SCHEMBL21160323

SCHEMBL21160323

C1=CCCC(c2ccccc2-c2c3ccccc3c(-c3cccc4sc5ccccc5c34)c3ccccc23)=C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRDT Q58F21 1/20 0.33
GPR3 P46089 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
DUSP3 P51452 1/20 0.32
BLM P54132 1/20 0.32
PTPN5 P54829 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.32
MCL1 Q07820 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL27331974 0.80 MCL1 (0.31) MCL1
SCHEMBL23719597 0.79 ACHE (0.31)
SCHEMBL24005096 0.79
SCHEMBL23472892 0.78 LIMK1 (0.33)
SCHEMBL17816858 0.77 ALOX5 (0.43) BRDTGPR3MEN1MAPTKMT2A
SCHEMBL27331826 0.76
SCHEMBL13706415 0.76 S1PR5 (0.33) BRDT
SCHEMBL26332132 0.76 BRDT (0.32) BRDTMAPTTDP1
SCHEMBL12655424 0.74
SCHEMBL22969346 0.74

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-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 EP disclosed