SCHEMBL22890886

SCHEMBL22890886

Brc1ccc(-c2cc(-c3ccc4c(c3)OCO4)[nH]n2)cc1Br

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.73
CLK4 Q9HAZ1 3/20 0.49
CLK1 P49759 2/20 0.49
CLK2 P49760 2/20 0.49
DYRK1A Q13627 2/20 0.49
DYRK1B Q9Y463 2/20 0.49
CLK3 P49761 1/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 4/20 0.49
NPC1 O15118 3/20 0.49
NFKB1 P19838 3/20 0.49
RAB9A P51151 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALOX12 P18054 2/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL10057827 0.90 SNCA (0.77) SNCAMAPTSMN1; SMN2LMNANPC1
SCHEMBL26092946 0.86 SNCA (0.76) SNCACLK4CLK1CLK2DYRK1A
SCHEMBL17279918 0.85 SNCA (0.82) SNCAMAPTSMN1; SMN2LMNANPC1
Emrusolmin SCHEMBL29376707 0.84 SNCA (1.00) SNCACLK4CLK1CLK2DYRK1A
Emrusolmin SCHEMBL21440048 0.84 SNCA (1.00) SNCACLK4CLK1CLK2DYRK1A
Emrusolmin SCHEMBL30597963 0.84 SNCA (1.00) SNCACLK4CLK1CLK2DYRK1A
Emrusolmin SCHEMBL30547957 0.84 SNCA (1.00) SNCACLK4CLK1CLK2DYRK1A
Emrusolmin SCHEMBL1660250 0.84 SNCA (1.00) SNCACLK4CLK1CLK2DYRK1A
SCHEMBL23407836 0.84 SNCA (0.69) SNCACLK4CLK1CLK2DYRK1A
SCHEMBL23407752 0.83 SNCA (0.68) SNCACLK4CLK1CLK2DYRK1A

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-2307381-B1 NEW DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2021-01-13 EP disclosed