SCHEMBL2586686

SCHEMBL2586686

c1ccc(-c2cccc(-c3cc4ccccc4s3)c2-c2cc3ccccc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.51
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NQO1 P15559 1/20 0.45
NQO2 P16083 1/20 0.45
ERN1 O75460 2/20 0.40
CYP2A6 P11509 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
BCL2L1 Q07817 1/20 0.39
F9 P00740 1/20 0.38
PRKDC P78527 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37

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
SCHEMBL29178000 0.89 APP (0.46) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL29177760 0.88 APP (0.51) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL22363255 0.86 APP (0.53) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL14648343 0.85 APP (0.58) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL163523 0.82 APP (0.71) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL29766071 0.82 APP (0.71) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL29177733 0.80 APP (0.47) APPHSD17B1HSD17B2ESR1ESR2
Bromide SCHEMBL31564934 0.80 APP (0.69) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL19133572 0.80 APP (0.57) APPHSD17B1HSD17B2CA1CA2
SCHEMBL5768436 0.78 APP (0.72) APPHSD17B1HSD17B2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118339941-A Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition 出光兴产株式会社 2024-07-12 CN disclosed
CN-117616909-A Mixed powder for organic electroluminescent element and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum evaporation 出光兴产株式会社 2024-02-27 CN disclosed
CN-117581654-A Mixed powder, mixed body, and method for manufacturing organic electroluminescent element 出光兴产株式会社 2024-02-20 CN disclosed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
US-9269911-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
EP-2564441-A1 ORGANIC LIGHT-EMITTING DEVICE Canon Kabushiki Kaisha (JP) 2013-03-06 EP disclosed
US-20130037791-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
WO-2011136156-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-11-03 WO disclosed