SCHEMBL7985371

SCHEMBL7985371

COc1cccc(-c2nc3ncn(Cc4cccc(C)c4)c3c(=O)[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
HPGD P15428 6/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
AURKA O14965 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
XBP1 P17861 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL7985844 0.94 GAA (0.52) GAAHPGDALDH1A1TP53RXFP1
SCHEMBL7991542 0.91 GAA (0.50) GAAHPGDALDH1A1TP53RXFP1
SCHEMBL7974583 0.91 GAA (0.59) GAAHPGDALDH1A1TP53RXFP1
SCHEMBL7985575 0.90 HPGD (0.49) GAAHPGDTP53RXFP1AURKA
SCHEMBL7991871 0.90 GAA (0.51) GAAHPGDALDH1A1TP53RXFP1
SCHEMBL7974016 0.89 GAA (0.56) GAAHPGDALDH1A1TP53RXFP1
SCHEMBL7985650 0.89 GAA (0.49) GAAHPGDPOLBTP53RXFP1
SCHEMBL7974266 0.88 ALDH1A1 (0.50) GAAHPGDALDH1A1POLBTP53
SCHEMBL7984692 0.88 GAA (0.48) GAAHPGDALDH1A1TP53RXFP1
SCHEMBL7974092 0.88 GAA (0.51) GAAHPGDALDH1A1TP53RXFP1

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