SCHEMBL6835890

SCHEMBL6835890

Cn1c(=O)c2c(nc(-c3ccccc3)n2S(=O)(=O)O)n(C)c1=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.68
ADORA2A P29274 3/20 0.68
MAOB P27338 3/20 0.53
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAOA P21397 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL4146728 0.82 ADORA2B (1.00) ADORA2BADORA2AMAOBHTTHPGD
SCHEMBL10616168 0.78 ADORA2B (0.72) ADORA2BADORA2AMAOBHTTHPGD
SCHEMBL515794 0.77 ADORA2B (0.74) ADORA2BADORA2AMAOBHTTHPGD
SCHEMBL515900 0.76 ADORA2B (0.72) ADORA2BADORA2AMAOBHTTHPGD
SCHEMBL17626266 0.75 ADORA2B (0.67) ADORA2BADORA2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL14129137 0.75 ADORA2B (1.00) ADORA2BADORA2AMAOBHPGDKDM4E
SCHEMBL7030152 0.75 ADORA2B (0.70) ADORA2BADORA2AHTTHPGDSMN1; SMN2
SCHEMBL683962 0.73 ADORA2B (0.62) ADORA2BADORA2AMAOBHTTHPGD
SCHEMBL8318291 0.72 ADORA2B (0.58) ADORA2BADORA2AMAOBHTTHPGD
Hydrochloric Acid SCHEMBL11388923 0.72 ADORA2B (0.61) ADORA2BADORA2AMAOBHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004058170-A9 METHODS FOR TREATING MALARIA BY MODULATION OF G PROTEIN FUNCTION UNIV NORTHWESTERN (US) 2004-08-19 WO disclosed
WO-2004058170-A2 METHODS FOR TREATING MALARIA BY MODULATION OF G PROTEIN FUNCTION NORTHWESTERN UNIVERSITY (US) 2004-07-15 WO disclosed
US-5658889-A ADMINISTERING 5-AMINO-4-IMIDAZLECARBOXAMIDE RIBOSIDE WHICH BINDS ADENOSINE MONOPHOSPHATE SITE OF FRUCTOSE-1,6-DIPHOSPHATASE GENSIA PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
EP-0427799-B1 METHOD AND COMPOUNDS FOR AICA RIBOSIDE DELIVERY AND FOR LOWERING BLOOD GLUCOSE GENSIA PHARMA (US) 1994-11-30 EP disclosed
EP-0427799-A4 METHOD AND COMPOUNDS FOR AICA RIBOSIDE DELIVERY AND FOR LOWERING BLOOD GLUCOSE 1991-07-24 EP disclosed
EP-0427799-A1 METHOD AND COMPOUNDS FOR AICA RIBOSIDE DELIVERY AND FOR LOWERING BLOOD GLUCOSE. GENSIA PHARMA (US) 1991-05-22 EP disclosed
WO-1990009163-A2 METHOD AND COMPOUNDS FOR AICA RIBOSIDE DELIVERY AND FOR LOWERING BLOOD GLUCOSE GENSIA PHARMACEUTICALS, INC. (US) 1990-08-23 WO disclosed