SCHEMBL7985453

SCHEMBL7985453

COc1cccc(Cn2cnc3nc(-c4ccccn4)[nH]c(=O)c32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TP53 P04637 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RUNX1 Q01196 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ROCK2 O75116 9/20 0.43
ROCK1 Q13464 6/20 0.43
AURKA O14965 1/20 0.43
PRKCB P05771 1/20 0.43
GRK2 P25098 1/20 0.43
AKT1 P31749 1/20 0.43
GRK5 P34947 1/20 0.43
GRK6 P43250 1/20 0.43
CAMK2B Q13554 1/20 0.43
RPS6KA1 Q15418 1/20 0.43
GRK7 Q8WTQ7 1/20 0.43

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
SCHEMBL7991785 0.87 HPGD (0.46) GAATP53NPC1RAB9AHPGD
SCHEMBL7974016 0.87 GAA (0.56) GAATP53RXFP1HPGDSMN1; SMN2
SCHEMBL7985844 0.86 GAA (0.52) GAATP53RXFP1HPGDALDH1A1
SCHEMBL7985490 0.86 ALDH1A1 (0.56) GAANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7989309 0.85 ROCK2 (0.55) GAATP53RXFP1HPGDSMN1; SMN2
SCHEMBL7974003 0.85 ALDH1A1 (0.45) GAANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7992174 0.85 SMN1; SMN2 (0.48) GAANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7985461 0.85 TP53 (0.48) GAATP53RXFP1NPC1RAB9A
SCHEMBL7985867 0.84 GAA (0.53) GAATP53RXFP1HPGDSMN1; SMN2
SCHEMBL7974583 0.83 GAA (0.59) GAATP53RXFP1HPGDSMN1; SMN2

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