SCHEMBL7991655

SCHEMBL7991655

CC(C)(C)c1ccc(Cn2cnc3nc(-c4ccccn4)[nH]c(=O)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KMT2A Q03164 3/20 0.45
METAP2 P50579 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
AGTR1 P30556 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL7991530 0.89 HPGD (0.48) HPGDALDH1A1SMN1; SMN2KMT2AMETAP2
SCHEMBL7985490 0.88 ALDH1A1 (0.56) HPGDALDH1A1SMN1; SMN2KMT2AMETAP2
SCHEMBL7974486 0.86 SMN1; SMN2 (0.50) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7974051 0.86 ALDH1A1 (0.47) HPGDALDH1A1SMN1; SMN2KMT2AMETAP2
SCHEMBL7991661 0.84 ABCC8 (0.45) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7984930 0.83 ABCC8 (0.47) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7984195 0.83 HPGD (0.45) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7974236 0.82 ABCC8 (0.43) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7992174 0.82 SMN1; SMN2 (0.48) HPGDALDH1A1SMN1; SMN2KMT2AMETAP2
SCHEMBL7991785 0.82 HPGD (0.46) HPGDALDH1A1SMN1; SMN2KMT2AMETAP2

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