SCHEMBL12854022

SCHEMBL12854022

c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2cc3ccccc3s2)c(-c2cc3ccccc3s2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.55
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
NQO1 P15559 1/20 0.47
NQO2 P16083 1/20 0.47
CYP2A6 P11509 4/20 0.45
ASIC3 Q9UHC3 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
MGLL Q99685 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ERN1 O75460 2/20 0.44
BCL2L1 Q07817 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL19133572 0.98 APP (0.57) APPHSD17B1HSD17B2CA2CA1
SCHEMBL27989389 0.88 APP (0.57) APPHSD17B1HSD17B2CA2CA1
SCHEMBL22363255 0.88 APP (0.53) APPHSD17B1HSD17B2CA2CA1
SCHEMBL29732980 0.85 APP (0.63) APPHSD17B1HSD17B2CA2CA1
SCHEMBL845603 0.85 APP (0.63) APPHSD17B1HSD17B2CA2CA1
SCHEMBL1723309 0.85 APP (0.46) APPHSD17B1HSD17B2CA2CA1
SCHEMBL398852 0.84 APP (0.58) APPHSD17B1HSD17B2CA2CA1
SCHEMBL5418121 0.84 APP (0.49) APPHSD17B1HSD17B2CA2CA1
SCHEMBL5359116 0.84 APP (0.49) APPHSD17B1HSD17B2CA2CA1
SCHEMBL7503046 0.84 APP (0.58) APPHSD17B1HSD17B2CA2CA1

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