SCHEMBL701166

SCHEMBL701166

NCCNCCOS(=O)(=O)OCCNCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.48
CA12 O43570 5/20 0.48
CA6 P23280 5/20 0.48
CA7 P43166 5/20 0.48
CA14 Q9ULX7 5/20 0.48
CA5B Q9Y2D0 5/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 2/20 0.48
KMT2A Q03164 2/20 0.48
CA2 P00918 7/20 0.46
CA1 P00915 5/20 0.46
CA4 P22748 4/20 0.46
CA5A P35218 4/20 0.46
LMNA P02545 3/20 0.46
CA3 P07451 3/20 0.46
ALOX15 P16050 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL29014372 0.84 CA1 (0.54) CA9CA12CA6CA7CA14
SCHEMBL17025704 0.82 CA12 (0.43) CA9CA12CA6CA7CA14
SCHEMBL10787466 0.80 RECQL (0.44) CA9CA12CA6CA7CA14
SCHEMBL27417213 0.77 TSHR (0.44) CA9CA12CA6CA7CA14
SCHEMBL2038045 0.74 ALDH1A1 (0.52) CA9CA12CA6CA7CA14
SCHEMBL8506764 0.74 CA1 (0.46) CA9CA12CA6CA7CA14
SCHEMBL700466 0.73 CA1 (0.36) CA9CA12CA6CA7CA14
SCHEMBL27533669 0.73 CYP2C19 (0.38) MEN1KMT2ACA2CA1TP53
Ethylenediamine SCHEMBL512881 0.72 CA12 (0.91) CA9CA12CA6CA7CA14
SCHEMBL700982 0.72 CA1 (0.50) CA9CA12CA6CA7CA14

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
EP-1908582-B1 GAS BARRIER LAMINATE FOR USE IN HOT WATER TREATMENT MITSUBISHI CHEM CORP (JP) 2018-06-13 EP disclosed
US-8124236-B2 Gas-barrier laminate for hydrothermal treatment MITSUBISHI PLASTICS, INC. (JP) 2012-02-28 US disclosed
US-20100035050-A1 GAS-BARRIER LAMINATE FOR HYDROTHERMAL TREATMENT MITSUBISHI PLASTICS, INC. (JP) 2010-02-11 US disclosed
EP-1908582-A1 GAS BARRIER LAMINATE FOR USE IN HOT WATER TREATMENT MITSUBISHI PLASTICS INC. (JP) 2008-04-09 EP disclosed