SCHEMBL20005027

SCHEMBL20005027

Cc1ccc(S(=O)(=O)OCCN(C)c2ccc(C#Cc3cc4cccnc4[nH]3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 12/20 0.62
MAPT P10636 9/20 0.62
F2 P00734 1/20 0.36
PRSS2 P07478 1/20 0.36
CTRC Q99895 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
AGTR1 P30556 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL20004574 0.82 SNCA (0.76) SNCAMAPT
SCHEMBL22537777 0.77 SNCA (0.79) SNCAMAPT
SCHEMBL20005089 0.77 SNCA (0.79) SNCAMAPT
SCHEMBL20004553 0.77 SNCA (1.00) SNCAMAPT
SCHEMBL20005138 0.77 SNCA (0.72) SNCAMAPTALDH1A1
SCHEMBL22930176 0.76 SNCA (0.77) SNCAMAPT
SCHEMBL21115283 0.75 MAPT (0.34) SNCAMAPTF2PRSS2CTRC
SCHEMBL20004597 0.75 SNCA (0.94) SNCAMAPT
SCHEMBL20004389 0.73 SNCA (1.00) SNCAMAPT
SCHEMBL19995089 0.73 MAPT (0.38) MAPTF2PRSS2CTRCLMNA

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
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed