SCHEMBL8990982

SCHEMBL8990982

CNc1ncnc2c1c(C#N)c(N)n2Cc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LRRK2 Q5S007 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GALR3 O60755 1/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL8991158 0.89 KMT2A (0.49) GAAKMT2AMEN1LRRK2NPC1
SCHEMBL8991067 0.88 KDM4E (0.39) GAAKMT2AMEN1LRRK2NPC1
SCHEMBL8991316 0.88 ALDH1A1 (0.55) GAAKMT2AMEN1LRRK2KDM4E
SCHEMBL8990998 0.87 LRRK2 (0.56) GAAKMT2ALRRK2KDM4EGLA
SCHEMBL8991276 0.87 MEN1 (0.40) GAAKMT2AMEN1LRRK2NPC1
SCHEMBL8991348 0.82 ALDH1A1 (0.44) GAAKMT2AMEN1LRRK2NPC1
SCHEMBL8991134 0.79 GAA (0.42) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL8991286 0.78 GAA (0.41) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL7700997 0.77 LRRK2 (0.55) GAAKMT2AMEN1LRRK2KDM4E
SCHEMBL8991084 0.76 LRRK2 (0.42) GAALRRK2KDM4EGLAALDH1A1

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