SCHEMBL7470525

SCHEMBL7470525

CCc1nc2c(OC)ccc(C(=O)Nc3c(C#N)cnn3C)c2s1.COc1ccc(C(=O)O)c2sc(N3CCOCC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
ADORA1 P30542 10/20 0.37
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL6170577 0.81 TP53 (0.45) ADORA2ALMNAPOLBTP53MAPT
SCHEMBL6171650 0.77 ALOX15 (0.58) ADORA2ALMNATP53MAPTADORA1
SCHEMBL6171990 0.76 ALDH1A1 (0.40) ADORA2ALMNAPOLBTP53MAPT
SCHEMBL6171107 0.74 ALDH1A1 (0.41) ADORA2ALMNATP53MAPTHSD17B10
SCHEMBL6170859 0.73 ALDH1A1 (0.41) ADORA2ATP53MAPTADORA1HSD17B10
SCHEMBL6170768 0.73 TP53 (0.54) ADORA2ALMNATP53MAPTADORA1
SCHEMBL6173367 0.73 MAPT (0.48) LMNATP53MAPTALOX15HSD17B10
SCHEMBL6173452 0.70 ALDH1A1 (0.47) ADORA2ALMNAPOLBTP53MAPT
SCHEMBL6172259 0.69 TP53 (0.60) LMNATP53MAPTALOX15HSD17B10
SCHEMBL6612626 0.69 ADORA2A (0.38) ADORA2ALMNATP53ADORA1HSD17B10

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-1263757-A1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-11 EP claimed
WO-2001058897-A1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO claimed