SCHEMBL28833465

SCHEMBL28833465

COCOc1ccc(N2CCOCC2=O)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.40
PTGS2 P35354 4/20 0.39
MTOR P42345 4/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP4K1 Q92918 1/20 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
SCHEMBL29886925 1.00 F10 (0.40) F10PTGS2MTORHTTKDM4E
SCHEMBL29887039 0.80 MAPT (0.48) HTTKDM4ELMNAGLAKMT2A
SCHEMBL28833540 0.80 MAPT (0.48) HTTKDM4ELMNAGLAKMT2A
SCHEMBL17151141 0.75 PTGS2 (0.46) F10PTGS2MTORKDM4EKMT2A
SCHEMBL848002 0.74 POLB (0.48) F10PTGS2KDM4ELMNAKMT2A
SCHEMBL20180814 0.74 F10 (0.47) F10PTGS2MTOR
SCHEMBL25033227 0.72 PTGS2 (0.46) F10PTGS2MTOR
SCHEMBL19841832 0.72 LRRK2 (0.43) F10PTGS2MTOR
SCHEMBL17148219 0.72 F10 (0.44) F10PTGS2MTOR
SCHEMBL29887105 0.70 MAPT (0.49) HTTKDM4EGLAKMT2A

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
CN-114981251-B Dibenzofuran derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-11-21 CN disclosed
CN-114981251-A Diphenyl furan derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-08-30 CN disclosed