SCHEMBL7985565

SCHEMBL7985565

Cc1ccc(Cn2cnc3nc(-c4cccc(O)c4)nc(O)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.40
HDAC1 Q13547 2/20 0.40
HSD17B13 Q7Z5P4 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTT P42858 1/20 0.39
HSD17B2 P37059 2/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 2/20 0.36
MET P08581 2/20 0.36
PIK3CA P42336 3/20 0.35
PIK3CG P48736 3/20 0.35
MTOR P42345 2/20 0.35
HSD17B1 P14061 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 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
SCHEMBL7991597 0.90 PDE4B (0.39) HDAC6HDAC1LMNASMN1; SMN2CYP11B1
SCHEMBL7984423 0.90 SMN1; SMN2 (0.38) HDAC6HDAC1LMNASMN1; SMN2CYP11B1
SCHEMBL7974247 0.90 CYP11B1 (0.44) HSD17B13LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL7985336 0.90 PIK3CA (0.42) HDAC6HDAC1HSD17B13SMN1; SMN2CYP11B1
SCHEMBL7974469 0.89 HDAC1 (0.40) HDAC6HDAC1LMNASMN1; SMN2CYP11B1
SCHEMBL7985613 0.89 MET (0.46) HDAC6HDAC1HSD17B13CYP11B1CYP11B2
SCHEMBL7984717 0.89 SMN1; SMN2 (0.46) HDAC6LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL7974277 0.88 NR1H4 (0.44) HDAC6HDAC1HSD17B13ADORA3ADORA1
SCHEMBL7991543 0.87 GAA (0.47) HDAC6HDAC1SMN1; SMN2ADORA1ADORA2A
SCHEMBL7991646 0.86 SMN1; SMN2 (0.43) HDAC6HDAC1HSD17B13SMN1; SMN2HTT

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