SCHEMBL7988933

SCHEMBL7988933

COc1cccc(Cn2cnc3nc(CN(C)C(=O)OC(C)(C)C)[nH]c(=O)c32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ROCK1 Q13464 6/20 0.39
ROCK2 O75116 6/20 0.39
MMP13 P45452 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
P2RX3 P56373 1/20 0.37
AURKA O14965 1/20 0.37
PRKCB P05771 1/20 0.37
GRK2 P25098 1/20 0.37
AKT1 P31749 1/20 0.37
GRK5 P34947 1/20 0.37
GRK6 P43250 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
SCHEMBL7988125 0.89 HPGD (0.43) GAAHPGDALDH1A1SMN1; SMN2HCAR2
SCHEMBL7985463 0.89 HPGD (0.52) GAAHPGDALDH1A1SMN1; SMN2CACNA1G
SCHEMBL7988929 0.87 TP53 (0.43) GAATP53RXFP1ROCK1ROCK2
SCHEMBL7987946 0.84 HPGD (0.42) HPGDALDH1A1SMN1; SMN2CACNA1GCACNA1B
SCHEMBL7988928 0.84 GAA (0.44) GAATP53RXFP1HPGDROCK1
SCHEMBL7974303 0.84 HPGD (0.42) HPGDALDH1A1SMN1; SMN2CACNA1GCACNA1B
SCHEMBL7992290 0.84 HPGD (0.42) HPGDALDH1A1SMN1; SMN2CACNA1GCACNA1B
SCHEMBL7991611 0.82 HPGD (0.42) HPGDALDH1A1SMN1; SMN2CACNA1GCACNA1B
SCHEMBL7975231 0.81 CACNA1G (0.40) TP53HPGDALDH1A1SMN1; SMN2HCAR2
SCHEMBL7984510 0.81 GAA (0.53) GAATP53RXFP1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed