SCHEMBL6423009

SCHEMBL6423009

Cc1cc(-c2cnc(CC[C@H](N)CO)o2)no1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL6249134 0.78 KDM4E (0.31) POLBRAB9AKDM4E
SCHEMBL8290833 0.70 POLB (0.33) POLBRAB9AKDM4EALDH1A1GAA
SCHEMBL3876734 0.70 POLB (0.33) POLBRAB9AKDM4EALDH1A1GAA
SCHEMBL3876732 0.70 POLB (0.33) POLBRAB9AKDM4EALDH1A1GAA
SCHEMBL6697602 0.60 MAPT (0.32)
SCHEMBL27777730 0.59 KDM4E (0.34) POLBKDM4EALDH1A1GAA
SCHEMBL3876705 0.58 RAB9A (0.36) POLBRAB9AKDM4EALDH1A1GAA
SCHEMBL12125441 0.57 SORT1 (0.42) ALDH1A1
SCHEMBL6207862 0.56 NOTUM (0.60) RAB9AALDH1A1GAA
SCHEMBL1672443 0.56 RAB9A (0.44) POLBRAB9AKDM4EALDH1A1GAA

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
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed