SCHEMBL9976891

SCHEMBL9976891

c1ccc(-n2c(-c3cccc(-c4cc5ccc6ccccc6c5c5ccccc45)n3)nc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ESR2 Q92731 4/20 0.40
ESR1 P03372 3/20 0.40
RPS6KB1 P23443 2/20 0.39
PRKACA P17612 1/20 0.39
GSK3B P49841 1/20 0.39
ROCK1 Q13464 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GSR P00390 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

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
SCHEMBL9976896 0.88 RECQL (0.51) RECQLMAPK1HTTESR2ESR1
SCHEMBL9976924 0.87 RECQL (0.45) RECQLMAPK1HTTESR2ESR1
SCHEMBL9611744 0.84 RECQL (0.48) RECQLMAPK1HTTESR2ESR1
SCHEMBL9611734 0.84 ESR1 (0.48) RECQLMAPK1HTTESR2ESR1
SCHEMBL9976878 0.83 ESR1 (0.50) RECQLMAPK1HTTESR2ESR1
SCHEMBL12144410 0.83 RECQL (0.44) RECQLMAPK1HTTESR2ESR1
SCHEMBL17692034 0.83 KDM4E (0.44) MAPK1HTTRAB9AALDH1A1HPGD
SCHEMBL9611914 0.81 ESR1 (0.48) RECQLMAPK1HTTESR2ESR1
SCHEMBL9976886 0.81 ESR1 (0.45) RECQLMAPK1HTTESR2ESR1
SCHEMBL13311160 0.81 MAPK1 (0.61) RECQLMAPK1HTTESR2ESR1

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