SCHEMBL7989007

SCHEMBL7989007

COc1cccc(-c2nc3ncn(CCc4ccccc4)c3c(=O)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
AURKA O14965 1/20 0.45
XBP1 P17861 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 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
SCHEMBL7984893 0.94 KDM4E (0.50) GAAKDM4EHPGDKMT2ANPSR1
SCHEMBL7974583 0.90 GAA (0.59) GAAHPGDALDH1A1KMT2ANPSR1
SCHEMBL7985844 0.87 GAA (0.52) GAAKDM4EHPGDALDH1A1MAPT
SCHEMBL7974613 0.86 CNOT7 (0.49) KDM4EHPGDALDH1A1KMT2AHTT
SCHEMBL7974016 0.86 GAA (0.56) GAAHPGDALDH1A1MAPTKMT2A
SCHEMBL7988550 0.85 ALDH1A1 (0.44) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL7984403 0.85 CNOT7 (0.47) KDM4EHPGDALDH1A1KMT2ALMNA
SCHEMBL7988580 0.85 ALDH1A1 (0.44) GAAKDM4EHPGDALDH1A1MAPT
SCHEMBL7984680 0.85 CNOT7 (0.43) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL7989011 0.84 KDM4E (0.48) GAAKDM4EHPGDALDH1A1MAPT

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