SCHEMBL16409642

SCHEMBL16409642

c1ccc(-n2c(-c3cccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cc54)c3)nc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
HDAC1 Q13547 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
GRIA1 P42261 1/20 0.45
CACNG8 Q8WXS5 1/20 0.45
CACNG2 Q9Y698 1/20 0.45
PTGER4 P35408 1/20 0.44
RECQL P46063 1/20 0.43
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42

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
SCHEMBL15207483 0.95 ESR1 (0.57) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15930477 0.92 ESR1 (0.52) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15446422 0.92 ESR1 (0.55) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15446401 0.92 ESR1 (0.55) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL16573902 0.91 ESR1 (0.51) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15446491 0.91 ESR1 (0.51) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL19238817 0.90 ESR1 (0.56) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15930395 0.90 ESR1 (0.52) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL23097286 0.90 ESR1 (0.58) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15446446 0.89 ESR1 (0.57) ESR1ESR2HDAC1HDAC8HDAC6

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-2015009102-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 (KR) 2015-01-22 WO disclosed