SCHEMBL17880267

SCHEMBL17880267

COCNc1nc(NC(C)O)nc(N(COC)COC)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
CREBBP Q92793 1/20 0.32
HTT P42858 2/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL14817362 0.91 ALDH1A1 (0.37) ALDH1A1KDM4EGAAKMT2AL3MBTL1
SCHEMBL469129 0.86 GAA (0.36) KDM4EGAAL3MBTL1
SCHEMBL762949 0.83 GAA (0.32) GAAL3MBTL1
SCHEMBL15684892 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8520417 0.80 GAA (0.33) ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL18292060 0.80
SCHEMBL17877051 0.79 KMT2A (0.39) ALDH1A1GAAKMT2A
SCHEMBL13140701 0.79 GAA (0.31) GAA
SCHEMBL16870926 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EGAAKMT2A
SCHEMBL13140698 0.77 GAA (0.31) GAA

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-20170102627-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2017-04-13 US disclosed
US-9599917-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-03-21 US disclosed
US-20160252834-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-09-01 US disclosed
US-20160187794-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-06-30 US disclosed