SCHEMBL7974157

SCHEMBL7974157

CN(C(=O)OC(C)(C)C)c1cccc(-c2nc(=O)c3c(ncn3Cc3ccccc3)[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
PARN O95453 1/20 0.41
CNOT7 Q9UIV1 1/20 0.41
P2RX7 Q99572 4/20 0.37
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.37
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KAT8 Q9H7Z6 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
VSIR Q9H7M9 1/20 0.35
PIN1 Q13526 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34

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
SCHEMBL7988795 0.93 BRD4 (0.40) BRD4PARNCNOT7PAX8KAT8
SCHEMBL7985482 0.91 PAX8 (0.43) BRD4PARNCNOT7P2RX7HPGD
SCHEMBL7974152 0.87 HPGD (0.47) BRD4PARNCNOT7HPGDMCL1
SCHEMBL7984762 0.83 P2RX7 (0.45) PARNCNOT7P2RX7HPGDALDH1A1
SCHEMBL7984731 0.82 ABCC8 (0.39) BRD4PARNCNOT7PAX8KAT8
SCHEMBL7988789 0.80 BRD4 (0.40) BRD4HPGDPAX8ALDH1A1SMN1; SMN2
SCHEMBL7984489 0.78 P2RX7 (0.45) PARNCNOT7P2RX7HPGDALDH1A1
SCHEMBL7988597 0.78 PARN (0.48) PARNCNOT7P2RX7HPGDALDH1A1
SCHEMBL7985342 0.78 CNOT7 (0.51) PARNCNOT7HPGDALDH1A1SMN1; SMN2
SCHEMBL7985460 0.78 CNOT7 (0.45) PARNCNOT7P2RX7HPGDMCL1

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