SCHEMBL28501289

SCHEMBL28501289

COc1ccc(Cn2ncc3nc(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)[nH]c(=O)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.47
SNCA P37840 1/20 0.42
TNKS2 Q9H2K2 2/20 0.41
NPC1 O15118 1/20 0.41
TNKS O95271 1/20 0.41
GUSB P08236 1/20 0.41
PARP1 P09874 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
NPBWR1 P48145 4/20 0.38
SLC2A1 P11166 1/20 0.38
TYMS P04818 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37

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
SCHEMBL28499632 0.83 TNKS (0.46) TNKS2NPC1TNKSGUSBPARP1
SCHEMBL14320356 0.83 NPC1 (0.54) TNKS2NPC1TNKSGUSBPARP1
SCHEMBL28511274 0.74 PKM (0.50) NPC1RAB9AEGLN1NPBWR1TYMS
SCHEMBL24996627 0.72 UCHL1 (0.53) UCHL1SNCANPBWR1MCHR1
SCHEMBL31357429 0.72 UCHL1 (0.53) UCHL1SNCANPBWR1MCHR1
SCHEMBL24997048 0.72 UCHL1 (0.53) UCHL1SNCANPBWR1MCHR1
SCHEMBL31510783 0.70 UCHL1 (0.47) UCHL1SNCANPC1RAB9AADORA2A
SCHEMBL28493868 0.70 TNKS (0.54) TNKS2NPC1TNKSGUSBPARP1
SCHEMBL759896 0.70 UCHL1 (0.56) UCHL1SNCANPBWR1MAPTADORA1
SCHEMBL4373740 0.70 UCHL1 (0.48) UCHL1SNCANPC1RAB9AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107286169-B Tankyrase inhibitors 北京四环制药有限公司 2020-11-24 CN disclosed