SCHEMBL8580189

SCHEMBL8580189

N#Cc1cccc(OC(=O)C(=O)Oc2cccc(C#N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 13/20 0.54
PRSS1 P07477 1/20 0.54
ACR P10323 1/20 0.54
GSK3B P49841 2/20 0.46
P4HB P07237 1/20 0.44
ENPP2 Q13822 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6667481 0.87 MGLL (0.52) MGLLPRSS1ACRGSK3BP4HB
SCHEMBL6667487 0.87 MGLL (0.52) MGLLPRSS1ACRGSK3B
SCHEMBL38664695 0.87 MGLL (0.47) MGLLPRSS1ACRGSK3BP4HB
SCHEMBL38665105 0.87 MGLL (0.47) MGLLPRSS1ACRGSK3BP4HB
SCHEMBL13762843 0.87 MGLL (0.50) MGLLPRSS1ACRP4HB
SCHEMBL30676498 0.85 CYP3A4 (0.58) MGLLPRSS1ACRP4HBMEN1
SCHEMBL17460125 0.85 MGLL (0.51) MGLLPRSS1ACRGSK3BP4HB
SCHEMBL10547627 0.85 CYP3A4 (0.58) MGLLPRSS1ACRP4HBMEN1
SCHEMBL16439785 0.85 MGLL (0.51) MGLLPRSS1ACRGSK3BP4HB
SCHEMBL27811220 0.85 MEN1 (0.66) MGLLPRSS1ACRGSK3BP4HB

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
US-5847231-A Selective nitration of phenol derivatives JUNSEI CHEMICAL CO., LTD. (JP) 1998-12-08 US disclosed