SCHEMBL6852834

SCHEMBL6852834

Cc1cccc(C(=O)c2nc(C(F)(F)F)nc3ccsc23)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.76
ADORA1 P30542 13/20 0.76
ADORA2B P29275 2/20 0.41

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
SCHEMBL6852837 0.87 ADORA2A (0.76) ADORA2AADORA1ADORA2B
SCHEMBL6214990 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6859414 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA2B
SCHEMBL6859881 0.81 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL6853006 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6861110 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6858290 0.80 ADORA2A (0.73) ADORA2AADORA1ADORA2B
SCHEMBL6858388 0.79 ADORA2A (0.76) ADORA2AADORA1ADORA2B
SCHEMBL6859837 0.79 ADORA2A (0.71) ADORA2AADORA1ADORA2B
SCHEMBL6852945 0.79 ADORA2A (0.71) ADORA2AADORA1ADORA2B

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-6787541-B1 MOVEMENT DISORDERS, PARKINSON'S DISEASE VERNALIS RESEARCH LIMITED (GB) 2004-09-07 US disclosed