SCHEMBL2585053

SCHEMBL2585053

[c]1c(-c2cccc3c2Cc2ccccc2-3)ccc2oc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NQO1 P15559 1/20 0.33
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
PGAM1 P18669 1/20 0.31
MAOA P21397 1/20 0.31
CASP1 P29466 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
SCHEMBL29177903 0.78 PNMT (0.44) PNMTCA1CA2CA4CA6
SCHEMBL15900454 0.78 HPGD (0.37) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL2585993 0.77 HPGD (0.36) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL2593906 0.77 MAPT (0.40) NPC1RAB9AKDM4EALDH1A1MAPT
Dibenzofuran SCHEMBL29191982 0.76 PNMT (0.41) PNMTCA1CA2CA4CA6
SCHEMBL17879504 0.75 CA1 (0.40) PNMTCA1CA2CA4CA6
SCHEMBL28894088 0.75 ALOX5 (0.43) PNMTCA1CA2CA4CA6
SCHEMBL11610539 0.74 HPGD (0.36) CA1CA2NPC1RAB9AKDM4E
SCHEMBL2589835 0.73 HPRT1 (0.41) CA1NPC1RAB9AKDM4EALDH1A1
SCHEMBL313500 0.72 PNMT (0.44) PNMTCA1CA2CA4CA6

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