SCHEMBL7168546

SCHEMBL7168546

COc1ccc(-c2csc(-c3ccccn3)n2)c2sc(NC(=O)N3CCOCC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.53
ADORA1 P30542 14/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2B P29275 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3037936 0.84 KMT2A (0.45) ADORA3L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3059808 0.79 ADORA2B (0.55) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL3051217 0.79 MAPT (0.46) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL3047796 0.78 CHRM4 (0.48) ADORA3L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL3051225 0.78 MAPT (0.42) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL3045403 0.77 ADORA3 (0.48) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL3057647 0.77 CYP19A1 (0.45) ADORA3L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3053017 0.76 CYP19A1 (0.49) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3051788 0.74 AR (0.54) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL24348855 0.74 ADORA2A (0.90) ADORA2AADORA1ADORA3ADORA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 WO disclosed