SCHEMBL2385672

SCHEMBL2385672

CS(=O)(=O)n1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.44
DPP4 P27487 1/20 0.41
PDPK1 O15530 1/20 0.40
GDA Q9Y2T3 1/20 0.40
MAP3K5 Q99683 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CDK2 P24941 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ATAD2 Q6PL18 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
ADORA2A P29274 3/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
PIK3CD O00329 1/20 0.36
ALPL P05186 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TMIGD3 P0DMS9 1/20 0.36
PDE4A P27815 1/20 0.36

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
SCHEMBL28066958 0.85 CYP1A2 (0.44) PNPDPP4PDPK1GDAMAP3K5
SCHEMBL10597948 0.78 PNP (0.46) PNPDPP4PDPK1GDAMAP3K5
SCHEMBL20867 0.78 ATAD2 (0.53) PNPDPP4PDPK1GDACYP2C19
Water SCHEMBL27738785 0.76 ADORA2A (0.54) PNPDPP4PDPK1GDACYP2C19
Hydrochloric Acid SCHEMBL27339406 0.76 ATAD2 (0.51) PNPDPP4PDPK1GDACYP2C19
SCHEMBL2385669 0.76 PNP (0.34) PNPCYP2C19CYP1A2ATAD2ADORA2A
SCHEMBL218669 0.76 MGMT (0.45) PNPDPP4PDPK1GDAMAP3K5
SCHEMBL41788 0.76 PNP (0.50) PNPDPP4PDPK1GDAMAP3K5
Sulfuric Acid SCHEMBL9697728 0.75 CYP2C19 (0.43) PNPDPP4PDPK1GDAMAP3K5
Bromide SCHEMBL8165615 0.75 MGMT (0.44) PNPDPP4PDPK1GDAMAP3K5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552947-A2 VISTA REGULATORY T CELL MEDIATOR PROTEIN, VISTA BINDING AGENTS AND USE THEREOF Trustees of Dartmouth College (US) 2013-02-06 EP disclosed
WO-2011120013-A2 VISTA REGULATORY T CELL MEDIATOR PROTEIN, VISTA BINDING AGENTS AND USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2011-09-29 WO disclosed
WO-2005046661-A2 USE OF NITRIC OXIDE DONORS FOR THE TREATMENT OF DRUG ADDICTION UNIVERSITY OF SHEFFIELD (GB) 2005-05-26 WO disclosed
EP-1450861-A2 TARGETING NUCLEIC ACIDS TO A CELLULAR NUCLEUS Mirus Corporation (US) 2004-09-01 EP disclosed
WO-2003012039-A2 TARGETING NUCLEIC ACIDS TO A CELLULAR NUCLEUS MIRUS CORPORATION (US) 2003-02-13 WO disclosed