SCHEMBL8991158

SCHEMBL8991158

CNc1ncnc2c1c(C#N)c(N)n2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
LRRK2 Q5S007 3/20 0.47
NR2F2 P24468 1/20 0.43
GLA P06280 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL8990982 0.89 GAA (0.42) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL8991276 0.88 MEN1 (0.40) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL8991067 0.86 KDM4E (0.39) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL8991316 0.86 ALDH1A1 (0.55) KMT2AMEN1KDM4EHSD17B10MAPK1
SCHEMBL8991180 0.85 LRRK2 (0.43) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL8991348 0.85 ALDH1A1 (0.44) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL8991109 0.85 KDM4E (0.59) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL8991357 0.78 MEN1 (0.48) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL8990963 0.78 MEN1 (0.48) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL8991084 0.77 LRRK2 (0.42) KDM4EHSD17B10LRRK2GLAALDH1A1

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