SCHEMBL7985705

SCHEMBL7985705

COc1ccc(Cn2cnc3nc(-c4ccccc4)nc(O)c32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
GAA P10253 1/20 0.46
MET P08581 1/20 0.44
ADORA3 P0DMS8 4/20 0.43
ADORA2B P29275 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ADORA1 P30542 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSL P07711 2/20 0.40
AKR1C3 P42330 1/20 0.39

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
SCHEMBL7985225 0.95 GAA (0.48) CYP11B1CYP11B2GAAMETADORA3
SCHEMBL7974584 0.88 GAA (0.56) CYP11B1CYP11B2GAAABCG2ADORA1
SCHEMBL7974018 0.88 GAA (0.53) GAAABCG2CYP1A2CYP2D6CYP2C19
SCHEMBL7975267 0.88 SMN1; SMN2 (0.46) CYP11B1CYP11B2GAAADORA3ADORA2B
SCHEMBL7985348 0.88 GAA (0.53) CYP11B1CYP11B2GAAMETL3MBTL1
SCHEMBL7984717 0.87 SMN1; SMN2 (0.46) CYP11B1CYP11B2GAAADORA3NPC1
SCHEMBL7991405 0.86 CYP11B1 (0.45) CYP11B1CYP11B2ADORA3HPGDADORA1
SCHEMBL7974478 0.85 LMNA (0.43) GAANPC1HPGDSMN1; SMN2TDP1
SCHEMBL7986521 0.85 CYP11B1 (0.47) CYP11B1CYP11B2METADORA3NPC1
SCHEMBL7974490 0.84 NR1H4 (0.47) CYP11B1CYP11B2ADORA3ADORA2BHPGD

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