SCHEMBL7701884

SCHEMBL7701884

COCCOCn1cc(C#N)c2c(=O)[nH]cnc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 5/20 0.41
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
PDE4A P27815 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
XDH P47989 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
MEN1 O00255 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
SCHEMBL7695279 0.87 KMT2A (0.38) HPRT1KDM4EHTTPDE4AADORA2A
SCHEMBL7701883 0.81 XDH (0.33) HPRT1XDH
SCHEMBL7701195 0.79 ADK (0.42)
SCHEMBL7696331 0.76 ADK (0.34) XDHKMT2AMEN1
SCHEMBL7701250 0.74 ACACB (0.33) XDH
SCHEMBL20911710 0.67 SRC (0.55) HTTMAPTPKMKMT2A
SCHEMBL8442195 0.65 SRC (0.43)
SCHEMBL7695926 0.64 ADK (0.45) ADORA2A
SCHEMBL15456177 0.64 DGAT1 (0.32) KMT2AMEN1
SCHEMBL3571294 0.63 DGAT1 (0.34)

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