SCHEMBL22912229

SCHEMBL22912229

COc1ccc(Cn2cc(-c3nc(SCCC(OCc4ccccc4)c4ccccc4)nc4ccccc34)ccc2=O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SDHB P21912 6/20 0.41
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 1/20 0.35
TP53 P04637 1/20 0.35
CSF1R P07333 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
SCHEMBL29976626 0.85 SDHB (0.51) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL20985638 0.85 SDHB (0.51) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL22912253 0.85 SDHB (0.57) SDHBMAPT
SCHEMBL22912212 0.85 SDHB (0.46) SDHBMAPTPDE4APDE4BPDE4C
SCHEMBL19805936 0.83 SDHB (0.43) SDHBMAPTGAALMNAPDE4A
SCHEMBL22912230 0.82 SDHB (0.47) SDHBMAPTGAALMNANPSR1
SCHEMBL19806089 0.78 SDHB (0.49) SDHBMAPTPDE4APDE4BPDE4C
SCHEMBL21019878 0.75 SDHB (0.61) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL19805741 0.75 SDHB (0.58) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL29976277 0.75 SDHB (0.58) SDHBPDE4APDE4BPDE4CPDE4D

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed