SCHEMBL7974092

SCHEMBL7974092

COc1cccc(Cn2cnc3nc(-c4cccc(Cl)c4)[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 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
USP2 O75604 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 3/20 0.44
MAPT P10636 2/20 0.43
YTHDC1 Q96MU7 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 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
SCHEMBL7991871 0.96 GAA (0.51) GAATP53RXFP1USP2CYP1A2
SCHEMBL7985844 0.93 GAA (0.52) GAATP53RXFP1ROCK2ROCK1
SCHEMBL7974583 0.90 GAA (0.59) GAATP53RXFP1MEN1KMT2A
SCHEMBL7974016 0.90 GAA (0.56) GAATP53RXFP1USP2CYP1A2
SCHEMBL7973624 0.90 SMN1; SMN2 (0.48) KMT2AYTHDC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL7985650 0.90 GAA (0.49) GAATP53RXFP1MEN1KMT2A
SCHEMBL7974310 0.89 GAA (0.48) GAATP53RXFP1CYP1A2CYP3A4
SCHEMBL7984692 0.89 GAA (0.48) GAATP53RXFP1ROCK2ROCK1
SCHEMBL7974010 0.88 SMN1; SMN2 (0.53) GAAKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL7985371 0.88 GAA (0.49) GAATP53RXFP1KMT2AROCK2

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