SCHEMBL12854005

SCHEMBL12854005

c1ccc(-n2c(-c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.69
RAB9A P51151 2/20 0.64
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.62
ESR2 Q92731 5/20 0.59
ESR1 P03372 4/20 0.59
PRKACA P17612 1/20 0.55
RPS6KB1 P23443 1/20 0.55
GSK3B P49841 1/20 0.55
ROCK1 Q13464 1/20 0.55
TSHR P16473 2/20 0.50
GSR P00390 1/20 0.50
GRIA1 P42261 1/20 0.48
CACNG8 Q8WXS5 1/20 0.48
CACNG2 Q9Y698 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL3473850 1.00 RECQL (0.69) RECQLRAB9AMAPK1HTTESR2
SCHEMBL13085156 0.98 RECQL (0.71) RECQLRAB9AMAPK1HTTESR2
SCHEMBL21742579 0.92 RECQL (0.61) RECQLRAB9AMAPK1HTTESR2
SCHEMBL22522284 0.91 RECQL (0.64) RECQLRAB9AMAPK1HTTESR2
SCHEMBL14124484 0.89 RECQL (0.58) RECQLRAB9AMAPK1HTTESR2
SCHEMBL12854090 0.89 RECQL (0.61) RECQLRAB9AMAPK1HTTESR2
SCHEMBL8010509 0.88 RECQL (0.64) RECQLRAB9AMAPK1HTTESR2
SCHEMBL647306 0.88 RECQL (0.64) RECQLRAB9AMAPK1HTTESR2
SCHEMBL12853974 0.88 RECQL (0.57) RECQLRAB9AMAPK1HTTESR2
SCHEMBL12854028 0.88 RECQL (0.57) RECQLRAB9AMAPK1HTTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120298979-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-20120298979-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-8277954-B2 Light emitting compound; high luminescence efficiency; durability FUJIFILM CORPORATION (JP) 2012-10-02 US disclosed
US-8277954-B2 Light emitting compound; high luminescence efficiency; durability FUJIFILM CORPORATION (JP) 2012-10-02 US disclosed
US-20070196692-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-23 US disclosed
US-20070196692-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-23 US disclosed