SCHEMBL2585045

SCHEMBL2585045

[c]1c(-c2cccc3ccccc23)ccc2sc3ccccc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
ALOX15 P16050 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
PTPN1 P18031 1/20 0.31
ALPL P05186 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL2592412 0.93 HPRT1 (0.40) GPR3CA12CA9ALDH1A1HPGD
SCHEMBL2590194 0.93 HPRT1 (0.40) GPR3CA12CA9ALDH1A1HPGD
SCHEMBL2588917 0.84 GPR3 (0.39) GPR3KDM4EALDH1A1HPGDMAPT
SCHEMBL9484819 0.77 HSP90AA1 (0.41) CA2KDM4EALDH1A1HPGDMAPT
SCHEMBL2591778 0.77 GPR3 (0.45) GPR3KDM4EALDH1A1HPGDGAA
SCHEMBL1819078 0.73 ALDH1A1 (0.43) CA12CA1CA2CA9KDM4E
SCHEMBL5964895 0.71 HPRT1 (0.52) ALDH1A1HPGDLMNAHSD17B10MAPT
SCHEMBL21295877 0.71 MIF (0.46) GPR3ALOX15KDM4EALDH1A1HPGD
SCHEMBL18606116 0.70 HPRT1 (0.50) ALDH1A1HPGDLMNAHSD17B10MAPT
SCHEMBL2593906 0.70 MAPT (0.40) ALOX15KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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