SCHEMBL21891306

SCHEMBL21891306

c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3oc3c(-c5nc6ccccc6n5-c5ccccc5)cccc34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
RPS6KB1 P23443 3/20 0.38
PRKACA P17612 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK1 Q13464 1/20 0.38
PTGER4 P35408 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CHEK2 O96017 1/20 0.34
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CACNG2 Q9Y698 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL21891305 0.94 RECQL (0.40) RECQLESR1ESR2RPS6KB1PRKACA
SCHEMBL21891655 0.93 RECQL (0.44) RECQLESR1ESR2RPS6KB1PRKACA
SCHEMBL22177816 0.93 RECQL (0.39) RECQLESR1ESR2RPS6KB1PRKACA
SCHEMBL21891310 0.90 RECQL (0.42) RECQLESR1ESR2RPS6KB1PRKACA
SCHEMBL22177688 0.90 RECQL (0.42) RECQLESR1ESR2RPS6KB1PRKACA
SCHEMBL21891150 0.90 RECQL (0.46) RECQLESR1ESR2RPS6KB1PRKACA
SCHEMBL21891149 0.90 RECQL (0.48) RECQLESR1ESR2RPS6KB1PRKACA
SCHEMBL22177457 0.90 PTGER4 (0.38) RECQLESR1ESR2RPS6KB1PRKACA
SCHEMBL21891187 0.90 RECQL (0.40) RECQLESR1ESR2RPS6KB1PRKACA
SCHEMBL22178249 0.89 RECQL (0.40) RECQLESR1ESR2RPS6KB1PRKACA

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-2020071863-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-04-09 WO disclosed