SCHEMBL22709346

SCHEMBL22709346

CC(=O)Oc1c(F)c(F)c(F)c(I)c1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.32
CELA1 Q9UNI1 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TOP1 P11387 1/20 0.31
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
BACE1 P56817 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 2/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL570928 0.86 PREP (0.39) PREPCELA1KDM4EHSD17B10CA2
SCHEMBL29047018 0.84 PREP (0.38) PREPCELA1KDM4EHSD17B10CA2
SCHEMBL31634841 0.84 PREP (0.38) PREPCELA1KDM4EHSD17B10CA2
SCHEMBL21728696 0.82 PREP (0.30) PREPCELA1
SCHEMBL14962495 0.79 PREP (0.39) PREPCELA1KDM4EHSD17B10CA2
SCHEMBL29000115 0.78 PREP (0.40) PREPCELA1KDM4EHSD17B10CA2
SCHEMBL7879433 0.76 CYP4F2 (0.37) PREPCELA1KDM4EHSD17B10CA2
SCHEMBL24436816 0.76 PREP (0.41) PREPCELA1KDM4EHSD17B10CA2
SCHEMBL19605886 0.76 KDM4E (0.36) PREPCELA1KDM4EHSD17B10CA2
SCHEMBL24436825 0.76 PREP (0.41) PREPCELA1KDM4EHSD17B10CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022115451-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2022-06-02 WO disclosed
EP-3797797-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST Novartis AG (CH) 2021-03-31 EP disclosed
WO-2020236825-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2020-11-26 WO disclosed