SCHEMBL8991203

SCHEMBL8991203

CCOCn1cc(C#N)c2c(Cl)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NR2F2 P24468 1/20 0.33
KMT2A Q03164 1/20 0.33
CFD P00746 1/20 0.33
ACACB O00763 1/20 0.32
ADK P55263 2/20 0.31
NSD2 O96028 1/20 0.31
NSD3 Q9BZ95 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
SCHEMBL7696331 0.86 ADK (0.34) MEN1NR2F2KMT2AACACBADK
SCHEMBL15456177 0.85 DGAT1 (0.32) MEN1NR2F2KMT2ACFDACACB
SCHEMBL7695926 0.84 ADK (0.45) CFDADKNSD2NSD3
SCHEMBL18595081 0.84 NSD2 (0.32) MEN1NR2F2KMT2ACFDACACB
SCHEMBL7697905 0.82 HIF1A (0.36) CFDACACBADK
SCHEMBL19208403 0.75 STAT3 (0.44) MEN1NR2F2KMT2ACFDACACB
SCHEMBL7695279 0.74 KMT2A (0.38) MEN1KMT2A
SCHEMBL19208112 0.73 CFD (0.37) MEN1KMT2ACFDACACBADK
SCHEMBL7701195 0.71 ADK (0.42) CFDADKNSD2NSD3
SCHEMBL22524404 0.70 ADK (0.39) MEN1NR2F2KMT2AADK

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-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed