SCHEMBL8240297

SCHEMBL8240297

O=C(c1ccccc1)c1sc(N(CCC2CC=CS2)Cc2ccccc2)nc1-c1ccco1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.67
ADORA1 P30542 14/20 0.62
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL3873992 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL3869311 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL3869262 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL8245876 0.73 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL3869221 0.71 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3869368 0.69 ADORA2A (0.79) ADORA2AADORA1ADORA3
SCHEMBL3878528 0.69 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL8247763 0.69 ADORA2A (0.73) ADORA2AADORA1ADORA3
SCHEMBL13936074 0.68 ADORA2A (0.81) ADORA2AADORA1ADORA3
SCHEMBL16440392 0.67 ADORA2A (0.73) ADORA2AADORA1ADORA3

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-2007022415-A2 SUBSTITUTED 2-AMINOTHIAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 WO disclosed