SCHEMBL6476277

SCHEMBL6476277

COc1ccc(-c2ccccc2)c2sc(NC(=O)c3ccc(CNCc4ccccc4)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 2/20 0.53
CHRM4 P08173 3/20 0.51
ADORA2A P29274 11/20 0.50
ADORA2B P29275 11/20 0.50
ADORA1 P30542 11/20 0.50
LMNA P02545 1/20 0.48
SCD O00767 1/20 0.47

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
Hydrochloric Acid SCHEMBL3045899 0.99 DUSP3 (0.53) DUSP3CHRM4ADORA2AADORA2BADORA1
SCHEMBL3047875 0.94 CHRM4 (0.57) DUSP3CHRM4ADORA2AADORA2BADORA1
SCHEMBL6477408 0.94 DUSP3 (0.52) DUSP3CHRM4ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL3050847 0.94 CHRM4 (0.56) DUSP3CHRM4ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL3050899 0.93 DUSP3 (0.51) DUSP3CHRM4ADORA2AADORA2BADORA1
SCHEMBL3055622 0.93 DUSP3 (0.51) DUSP3CHRM4ADORA2AADORA2BADORA1
SCHEMBL3049501 0.93 CHRM4 (0.55) DUSP3CHRM4ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL3058132 0.93 DUSP3 (0.50) DUSP3CHRM4ADORA2AADORA2BADORA1
SCHEMBL3057471 0.93 DUSP3 (0.50) DUSP3CHRM4ADORA2AADORA2BADORA1
SCHEMBL6484767 0.93 DUSP3 (0.50) DUSP3CHRM4ADORA2AADORA2BADORA1

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
US-6963000-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMAN-LA ROCHE INC. (US) 2005-11-08 US claimed