SCHEMBL7991397

SCHEMBL7991397

CC(C)(C)c1ccc(Cn2cnc3nc(-c4cccc(N)c4)[nH]c(=O)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.41
NR1H4 Q96RI1 2/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
GNRHR P30968 2/20 0.37
SCN9A Q15858 1/20 0.36
GAA P10253 1/20 0.36
PNP P00491 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL7985008 0.90 ABCC8 (0.43) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7974275 0.89 HPGD (0.43) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7992261 0.89 TNKS (0.43) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7984419 0.89 SMN1; SMN2 (0.44) HPGDALDH1A1SMN1; SMN2KMT2AIKBKE
SCHEMBL7974486 0.89 SMN1; SMN2 (0.50) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7988015 0.89 HPGD (0.43) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7988517 0.88 ABCC8 (0.47) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7984655 0.88 SMN1; SMN2 (0.53) HPGDALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL7985594 0.88 GAA (0.48) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7984466 0.88 HPGD (0.42) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2

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