SCHEMBL7985271

SCHEMBL7985271

COc1cccc(Cn2cnc3nc(CCN)[nH]c(=O)c32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TP53 P04637 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HCAR2 Q8TDS4 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
ROCK2 O75116 8/20 0.44
ROCK1 Q13464 5/20 0.44
HPGD P15428 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
AURKA O14965 1/20 0.42
PRKCB P05771 1/20 0.42
GRK2 P25098 1/20 0.42
AKT1 P31749 1/20 0.42
GRK5 P34947 1/20 0.42
GRK6 P43250 1/20 0.42

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 0.91 GAA (0.52) GAATP53RXFP1HCAR2ROCK2
SCHEMBL7984510 0.89 GAA (0.53) GAATP53RXFP1HCAR2ROCK2
SCHEMBL7992185 0.87 HPGD (0.45) GAATP53HCAR2TAAR1HPGD
SCHEMBL7986360 0.86 GAA (0.51) GAATP53RXFP1HCAR2ROCK2
Hydrochloric Acid SCHEMBL7974228 0.85 GAA (0.50) GAATP53RXFP1HCAR2ROCK2
SCHEMBL7988531 0.85 ALDH1A1 (0.44) HCAR2TAAR1ROCK2ROCK1HPGD
SCHEMBL7988672 0.85 SMN1; SMN2 (0.47) HCAR2TAAR1HPGDALDH1A1SMN1; SMN2
SCHEMBL7985278 0.84 TP53 (0.50) GAATP53RXFP1TAAR1ROCK2
SCHEMBL7985634 0.84 SMN1; SMN2 (0.57) GAARXFP1HCAR2HPGDALDH1A1
Hydrochloric Acid SCHEMBL7987615 0.83 SMN1; SMN2 (0.56) GAARXFP1HCAR2HPGDALDH1A1

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