SCHEMBL21551879

SCHEMBL21551879

COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1.[Ar]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.52
KIF11 P52732 9/20 0.50
LTA4H P09960 2/20 0.50
KCNH2 Q12809 1/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 1/20 0.42

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
SCHEMBL16698731 0.98 CA4 (0.54) CA4KIF11LTA4HKCNH2CA12
SCHEMBL121800 0.98 CA4 (0.54) CA4KIF11LTA4HKCNH2CA12
SCHEMBL26862 0.98 CA4 (0.54) CA4KIF11LTA4HKCNH2CA12
Methane SCHEMBL28252951 0.96 CA4 (0.52) CA4KIF11LTA4HKCNH2CA12
Ammonia Solution, Strong SCHEMBL17187816 0.96 CA4 (0.52) CA4KIF11LTA4HKCNH2CA12
SCHEMBL16321127 0.90 ACHE (0.56) CA4KIF11LTA4HKCNH2CA12
SCHEMBL12730666 0.90 ACHE (0.56) CA4KIF11LTA4HKCNH2CA12
SCHEMBL1975657 0.89 CA1 (0.58) CA4LTA4HCA12CA1CA2
SCHEMBL31123784 0.87 CA4 (0.48) CA4KIF11LTA4HKCNH2CA1
SCHEMBL21682186 0.87 CA4 (0.48) CA4KIF11LTA4HKCNH2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983077-A1 DELIVERY OF OLIGONUCLEOTIDES TO THE STRIATUM Alnylam Pharmaceuticals, Inc. (US) 2022-04-20 EP disclosed
EP-3790970-A1 EXTRAHEPATIC DELIVERY Alnylam Pharmaceuticals Inc. (US) 2021-03-17 EP disclosed
WO-2020257194-A1 DELIVERY OF OLIGONUCLEOTIDES TO THE STRIATUM ALNYLAM PHARMACEUTICALS, INC. (US) 2020-12-24 WO disclosed
WO-2019217459-A1 EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2019-11-14 WO disclosed