SCHEMBL4755850

SCHEMBL4755850

COC(=O)c1cc([N+](=O)[O-])[nH]n1.O=C(O)c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
HPGD P15428 1/20 0.48
HCAR2 Q8TDS4 11/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
DAO P14920 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR3 P49019 2/20 0.41
CYTH3 O43739 1/20 0.37
BTK Q06187 1/20 0.37
EPN1 Q9Y6I3 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL25449 0.94 MAPK1 (0.57) MAPK1HPGDHCAR2NPC1POLB
SCHEMBL26820 0.87 HPGD (0.54) HPGDHCAR2DAOHCAR3CYTH3
Hydrochloric Acid SCHEMBL27727584 0.86 HPGD (0.52) HPGDHCAR2DAOHCAR3CYTH3
SCHEMBL6350652 0.83 HPGD (0.50) MAPK1HPGDNPC1POLBRAB9A
SCHEMBL14688254 0.78 HPGD (0.46) MAPK1HPGDNPC1POLBRAB9A
SCHEMBL6722955 0.78 HPGD (0.46) MAPK1HPGDHCAR2NPC1POLB
SCHEMBL3827239 0.78 POLB (0.48) HPGDNPC1POLBRAB9AKMT2A
SCHEMBL15981916 0.76 HPGD (0.52) MAPK1HPGDHCAR2DAOKMT2A
SCHEMBL1554374 0.73 HPGD (0.45) MAPK1HPGDHCAR2NPC1POLB
SCHEMBL23534328 0.73 ESR1 (0.49) MAPK1HPGDL3MBTL1

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
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed