SCHEMBL7465110

SCHEMBL7465110

CCOCn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
HIF1A Q16665 1/20 0.71
SMN1; SMN2 Q16637 5/20 0.68
RXFP1 Q9HBX9 2/20 0.68
ADORA2B P29275 2/20 0.68
PDE1A P54750 1/20 0.59
PDE1B Q01064 1/20 0.59
PDE1C Q14123 1/20 0.59
HTT P42858 2/20 0.55
UBE2N P61088 2/20 0.55
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.52
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
CASP1 P29466 1/20 0.52

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
SCHEMBL7459561 0.91 POLB (0.65) POLBHIF1ASMN1; SMN2RXFP1ADORA2B
SCHEMBL7606543 0.90 POLB (0.57) POLBHIF1ASMN1; SMN2RXFP1ADORA2B
SCHEMBL7603292 0.88 POLB (0.74) POLBHIF1ASMN1; SMN2RXFP1ADORA2B
SCHEMBL7604677 0.88 POLB (0.67) POLBHIF1ASMN1; SMN2RXFP1ADORA2B
SCHEMBL7603804 0.88 POLB (0.67) POLBHIF1ASMN1; SMN2RXFP1ADORA2B
SCHEMBL11014928 0.87 POLB (0.83) POLBHIF1ASMN1; SMN2RXFP1ADORA2B
SCHEMBL7608447 0.84 POLB (0.67) POLBHIF1ASMN1; SMN2RXFP1ADORA2B
SCHEMBL5718879 0.82 POLB (0.65) POLBHIF1ASMN1; SMN2RXFP1ADORA2B
SCHEMBL7608305 0.82 POLB (0.75) POLBHIF1ASMN1; SMN2RXFP1ADORA2B
SCHEMBL1944405 0.81 ADORA2B (1.00) POLBHIF1ASMN1; SMN2RXFP1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812844-B1 Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof HOECHST AG (DE) 2002-10-23 EP claimed
EP-0771813-B1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AG (DE) 2002-01-16 EP disclosed
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
EP-0771813-A1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed