SCHEMBL7701985

SCHEMBL7701985

N#Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ncnc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 12/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
XDH P47989 1/20 0.41
CYP19A1 P11511 1/20 0.40
CFD P00746 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ADK P55263 1/20 0.38

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
SCHEMBL7700961 0.87 PAX8 (0.44) SLC29A1MEN1LMNAKMT2ACFD
SCHEMBL7700930 0.83 MAPT (0.46) MEN1KMT2ACFDPIK3CDPIK3CA
SCHEMBL3817538 0.83 SLC29A1 (0.47) SLC29A1MEN1LMNAKMT2AXDH
SCHEMBL7698564 0.82 ADK (0.43) LMNACFDPIK3CDPIK3CAPIK3CB
SCHEMBL7700864 0.82 CFD (0.44) MEN1LMNACFDPIK3CDPIK3CA
SCHEMBL7700385 0.82 ADORA2A (0.52) MEN1KMT2ACFDPIK3CDPIK3CA
SCHEMBL7704315 0.80 SLC29A1 (0.44) SLC29A1MEN1LMNAKMT2AXDH
SCHEMBL7701968 0.80 RIPK2 (0.45) CYP19A1CFDPIK3CDPIK3CAPIK3CB
SCHEMBL7696329 0.80 ADK (0.41) MEN1KMT2ACFDPIK3CDPIK3CA
SCHEMBL7695942 0.78 MEN1 (0.50) SLC29A1MEN1LMNAKMT2AXDH

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