SCHEMBL6852945

SCHEMBL6852945

COc1ccc(C(=O)c2nc(C(F)(F)F)nc3ccsc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.71
ADORA1 P30542 13/20 0.71
ADORA2B P29275 1/20 0.53
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
PAX8 Q06710 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6858388 0.84 ADORA2A (0.76) ADORA2AADORA1ADORA2BRAB9ANPC1
SCHEMBL6853006 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6217992 0.80 ADORA2A (0.64) ADORA2AADORA1ADORA2B
SCHEMBL6852981 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6217242 0.76 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL6861124 0.76 ADORA2A (0.71) ADORA2AADORA1ADORA2B
SCHEMBL6859592 0.74 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL6859720 0.73 ADORA2A (1.00) ADORA2AADORA1ADORA2BRAB9AHTT
SCHEMBL6852965 0.73 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6859849 0.73 ADORA2A (0.71) ADORA2AADORA1

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