SCHEMBL7696331

SCHEMBL7696331

COCCOCn1cc(C#N)c2c(Cl)ncnc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.34
ACACB O00763 1/20 0.33
XDH P47989 1/20 0.32
MEN1 O00255 1/20 0.32
NR2F2 P24468 1/20 0.32
KMT2A Q03164 1/20 0.32
NSD2 O96028 1/20 0.31
NSD3 Q9BZ95 1/20 0.31
AR P10275 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
SCHEMBL15456177 0.87 DGAT1 (0.32) ADKACACBMEN1NR2F2KMT2A
SCHEMBL8991203 0.86 MEN1 (0.33) ADKACACBMEN1NR2F2KMT2A
SCHEMBL18595081 0.86 NSD2 (0.32) ADKACACBMEN1NR2F2KMT2A
SCHEMBL7701195 0.85 ADK (0.42) ADKNSD2NSD3
SCHEMBL7701250 0.83 ACACB (0.33) ADKACACBXDH
SCHEMBL7701884 0.76 HPRT1 (0.41) XDHMEN1KMT2A
SCHEMBL19208403 0.72 STAT3 (0.44) ACACBMEN1NR2F2KMT2A
SCHEMBL8442195 0.72 SRC (0.43) ADKNSD2NSD3
SCHEMBL7695926 0.71 ADK (0.45) ADKNSD2NSD3
SCHEMBL2565787 0.71 DGAT1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed