SCHEMBL6486465

SCHEMBL6486465

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 15/20 0.54
ADORA2A P29274 14/20 0.54
ADORA1 P30542 14/20 0.54
DUSP3 P51452 2/20 0.53
LMNA P02545 1/20 0.52
CHRM4 P08173 1/20 0.50

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 SCHEMBL3059825 0.99 ADORA2B (0.53) ADORA2BADORA2AADORA1DUSP3LMNA
SCHEMBL6481259 0.93 ADORA2B (0.53) ADORA2BADORA2AADORA1DUSP3LMNA
Hydrochloric Acid SCHEMBL3048033 0.93 ADORA2B (0.53) ADORA2BADORA2AADORA1DUSP3LMNA
SCHEMBL6482952 0.91 ADORA2A (0.55) ADORA2BADORA2AADORA1DUSP3LMNA
SCHEMBL3046423 0.90 DUSP3 (0.56) ADORA2BADORA2AADORA1DUSP3LMNA
SCHEMBL6483836 0.90 ADORA2B (0.53) ADORA2BADORA2AADORA1DUSP3LMNA
Hydrochloric Acid SCHEMBL3044718 0.90 ADORA2A (0.54) ADORA2BADORA2AADORA1DUSP3LMNA
SCHEMBL6476606 0.89 ADORA2B (0.50) ADORA2BADORA2AADORA1DUSP3LMNA
Hydrochloric Acid SCHEMBL3043464 0.89 ADORA2B (0.52) ADORA2BADORA2AADORA1DUSP3LMNA
SCHEMBL6476220 0.89 ADORA2A (0.51) ADORA2BADORA2AADORA1DUSP3LMNA

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