SCHEMBL7984731

SCHEMBL7984731

CN(C(=O)OC(C)(C)C)c1ccc(-c2nc(=O)c3c(ncn3Cc3ccc(C(C)(C)C)cc3)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
PAX8 Q06710 1/20 0.38
NR1H4 Q96RI1 6/20 0.36
SCN9A Q15858 1/20 0.34
CNOT7 Q9UIV1 2/20 0.33
PARN O95453 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
GNRHR P30968 1/20 0.32
S1PR1 P21453 2/20 0.32

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
SCHEMBL7985482 0.91 PAX8 (0.43) PAX8CNOT7PARNBRD4CREBBP
SCHEMBL7988795 0.90 BRD4 (0.40) ABCC8KCNJ11PAX8NR1H4SCN9A
SCHEMBL7984727 0.86 HPGD (0.40) ABCC8KCNJ11PAX8NR1H4BRD4
SCHEMBL7974157 0.82 BRD4 (0.44) PAX8CNOT7PARNBRD4KAT8
SCHEMBL7988524 0.82 ABCC8 (0.47) ABCC8KCNJ11NR1H4SCN9ACNOT7
SCHEMBL7987364 0.81 TNKS (0.46) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7992288 0.81 ABCC8 (0.41) ABCC8KCNJ11NR1H4SCN9ACNOT7
SCHEMBL7974492 0.81 ABCC8 (0.47) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7984871 0.80 ABCC8 (0.45) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7984934 0.80 CNOT7 (0.47) ABCC8KCNJ11NR1H4CNOT7PARN

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