SCHEMBL7697492

SCHEMBL7697492

N#Cc1c(N)n(Cc2cccc([N+](=O)[O-])c2)c2ncnc(N)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
LRRK2 Q5S007 3/20 0.44
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PAX8 Q06710 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL7695831 0.90 DYRK1A (0.46) KMT2AMEN1LRRK2KDM4EMAPT
SCHEMBL7695942 0.87 MEN1 (0.50) KMT2AMEN1LRRK2KDM4EMAPT
SCHEMBL7701567 0.84 LRRK2 (0.50) KMT2AMEN1LRRK2KDM4ETSHR
SCHEMBL8991072 0.82 LRRK2 (0.51) KMT2AMEN1LRRK2KDM4EPIK3CD
SCHEMBL8991109 0.81 KDM4E (0.59) KMT2AMEN1LRRK2KDM4ETSHR
SCHEMBL7700961 0.80 PAX8 (0.44) KMT2AMEN1PIK3CDPIK3CAPIK3CB
SCHEMBL7705445 0.77 DYRK1A (0.49) KMT2AMEN1LRRK2KDM4EPIK3CD
SCHEMBL7700997 0.77 LRRK2 (0.55) KMT2AMEN1LRRK2KDM4EPIK3CD
SCHEMBL7696350 0.76 LRRK2 (0.53) KMT2AMEN1LRRK2KDM4ETSHR
SCHEMBL7695719 0.76 LRRK2 (0.53) KMT2ALRRK2KDM4EPIK3CDPIK3CA

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-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed