SCHEMBL8520694

SCHEMBL8520694

CCCCCS(=O)(=O)NC=O.c1ncncn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 3/20 0.35
EPHX1 P07099 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL667726 0.89 RELA (0.43) RELAALDH1A1LMNAMAPTMEN1
SCHEMBL1751775 0.87 FAAH (0.46) RELAALDH1A1LMNAMAPTMEN1
SCHEMBL4910687 0.87 FAAH (0.46) RELAALDH1A1LMNAMAPTMEN1
SCHEMBL8637402 0.87 FAAH (0.46) RELAALDH1A1LMNAMAPTMEN1
SCHEMBL7522857 0.87 FAAH (0.46) RELAALDH1A1LMNAMAPTMEN1
SCHEMBL966697 0.87 FAAH (0.46) RELAALDH1A1LMNAMAPTMEN1
SCHEMBL424438 0.82 HPGD (0.43) RELAHPGDKDM4EALDH1A1LMNA
SCHEMBL423937 0.74
SCHEMBL9407566 0.73
SCHEMBL7446566 0.72 FAAH (0.43) RELAHPGDALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592182-B1 Non aqueous dispersion ink PITNEY BOWES INC (US) 1999-12-15 EP disclosed