SCHEMBL7985575

SCHEMBL7985575

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
AURKA O14965 1/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
P2RX7 Q99572 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 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
SCHEMBL7974310 0.96 GAA (0.48) HPGDKDM4ENPSR1GAATP53
SCHEMBL7985844 0.93 GAA (0.52) HPGDKDM4EGAATP53RXFP1
SCHEMBL7974193 0.91 GAA (0.49) HPGDKDM4EGAATP53RXFP1
SCHEMBL7974583 0.90 GAA (0.59) HPGDNPSR1GAATP53RXFP1
SCHEMBL7991667 0.90 ALDH1A1 (0.46) HPGDGRIN1GRIN2BSMN1; SMN2ROCK2
SCHEMBL7985371 0.90 GAA (0.49) HPGDKDM4ENPSR1GAATP53
SCHEMBL7988743 0.90 GAA (0.49) HPGDKDM4ENPSR1GAATP53
SCHEMBL7991871 0.89 GAA (0.51) HPGDGAATP53RXFP1AURKA
SCHEMBL7974016 0.88 GAA (0.56) HPGDNPSR1GAATP53RXFP1
SCHEMBL7985650 0.88 GAA (0.49) HPGDGAATP53RXFP1AURKA

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