SCHEMBL7984510

SCHEMBL7984510

CCc1nc2ncn(Cc3cccc(OC)c3)c2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
TP53 P04637 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ROCK1 Q13464 4/20 0.46
ROCK2 O75116 4/20 0.46
HCAR2 Q8TDS4 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CMA1 P23946 1/20 0.44
AURKA O14965 1/20 0.44
PRKCB P05771 1/20 0.44
GRK2 P25098 1/20 0.44
AKT1 P31749 1/20 0.44
GRK5 P34947 1/20 0.44
GRK6 P43250 1/20 0.44
CAMK2B Q13554 1/20 0.44
RPS6KA1 Q15418 1/20 0.44

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
SCHEMBL7984130 0.92 GAA (0.52) GAATP53RXFP1ROCK1ROCK2
SCHEMBL7985271 0.89 GAA (0.51) GAATP53RXFP1ROCK1ROCK2
SCHEMBL7986360 0.89 GAA (0.51) GAATP53RXFP1ROCK1ROCK2
Hydrochloric Acid SCHEMBL7974228 0.88 GAA (0.50) GAATP53RXFP1ROCK1ROCK2
SCHEMBL7974255 0.86 HPGD (0.47) GAATP53HCAR2LMNAMAPT
SCHEMBL7984206 0.85 HPGD (0.46) GAARXFP1ROCK2HCAR2MAPT
SCHEMBL7984753 0.85 SMN1; SMN2 (0.51) GAAHCAR2HPGDALDH1A1SMN1; SMN2
SCHEMBL7985844 0.84 GAA (0.52) GAATP53RXFP1ROCK1ROCK2
SCHEMBL7975251 0.84 SMN1; SMN2 (0.60) GAATP53RXFP1HPGDALDH1A1
SCHEMBL7987464 0.84 HPGD (0.41) GAAROCK1ROCK2HPGDALDH1A1

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