SCHEMBL7984489

SCHEMBL7984489

CC(C)(C)OC(=O)Nc1ccc(-c2nc(=O)c3c(ncn3Cc3ccccc3)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
PARN O95453 1/20 0.44
CNOT7 Q9UIV1 1/20 0.44
CYP17A1 P05093 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
HPGD P15428 1/20 0.40
CDK9 P50750 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
PSMB8 P28062 1/20 0.38
GLS O94925 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCD O00767 2/20 0.37
ADORA2B P29275 1/20 0.37
PARP1 P09874 1/20 0.37
SLC2A1 P11166 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37

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
SCHEMBL7984762 0.90 P2RX7 (0.45) P2RX7PARNCNOT7CYP17A1HPGD
SCHEMBL7984479 0.86 HPGD (0.52) P2RX7PARNCNOT7CYP17A1PTGDR2
SCHEMBL7985482 0.84 PAX8 (0.43) P2RX7PARNCNOT7HPGDALDH1A1
SCHEMBL7974461 0.82 CNOT7 (0.49) PARNCNOT7HPGDALDH1A1SMN1; SMN2
SCHEMBL7975271 0.81 CNOT7 (0.56) PARNCNOT7HPGDALDH1A1SMN1; SMN2
SCHEMBL7988562 0.80 CNOT7 (0.54) PARNCNOT7HPGDALDH1A1SMN1; SMN2
SCHEMBL7985228 0.80 CXCR2 (0.50) P2RX7PARNCNOT7HPGDALDH1A1
SCHEMBL7984461 0.79 CNOT7 (0.52) PARNCNOT7HPGDALDH1A1SMN1; SMN2
SCHEMBL7975135 0.79 CNOT7 (0.52) PARNCNOT7HPGDALDH1A1SMN1; SMN2
SCHEMBL7974480 0.79 GUSB (0.50) P2RX7PARNCNOT7HPGDALDH1A1

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