SCHEMBL9976886

SCHEMBL9976886

c1ccc(-n2c(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)nc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
MAPK10 P53779 5/20 0.43
RECQL P46063 1/20 0.43
GRIA1 P42261 1/20 0.42
CACNG8 Q8WXS5 1/20 0.42
CACNG2 Q9Y698 1/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
PTGER4 P35408 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
GSK3B P49841 1/20 0.39
ROCK1 Q13464 1/20 0.39
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL12451887 0.95 MAPK10 (0.44) ESR1ESR2MAPK10RECQLGRIA1
SCHEMBL9611734 0.93 ESR1 (0.48) ESR1ESR2MAPK10RECQLGRIA1
SCHEMBL9976878 0.93 ESR1 (0.50) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL9976888 0.91 ESR1 (0.49) ESR1ESR2MAPK10GRIA1CACNG8
SCHEMBL9611911 0.89 ESR1 (0.55) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL9611914 0.88 ESR1 (0.48) ESR1ESR2MAPK10RECQLGRIA1
SCHEMBL9611806 0.88 ESR1 (0.47) ESR1ESR2MAPK10RECQLGRIA1
SCHEMBL9976896 0.88 RECQL (0.51) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL12144444 0.87 ESR1 (0.50) ESR1ESR2MAPK10RECQLGRIA1
SCHEMBL9976911 0.86 ESR1 (0.52) ESR1ESR2RECQLGRIA1CACNG8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed