SCHEMBL7535173

SCHEMBL7535173

COc1ccc(C(=O)O)c2sc(C3CC3)nc12.Cc1noc(C)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
CHRM4 P08173 4/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 2/20 0.35
GAA P10253 2/20 0.34
MAPK10 P53779 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7535177 0.89 CHRM4 (0.39) BRD4CHRM4KDM4ETSHRALDH1A1
SCHEMBL6173264 0.84 ALDH1A1 (0.49) CHRM4KDM4ETSHRALDH1A1MAPT
SCHEMBL6173452 0.66 ALDH1A1 (0.47) KDM4ETSHRALDH1A1MAPTHSD17B10
SCHEMBL6172975 0.65 ALDH1A1 (0.44) CHRM4KDM4ETSHRALDH1A1MAPT
SCHEMBL1919282 0.65 ALDH1A1 (0.52) CHRM4KDM4ETSHRALDH1A1MAPT
SCHEMBL6171996 0.65 ALDH1A1 (0.41) KDM4ETSHRALDH1A1MAPTHSD17B10
SCHEMBL352276 0.64 GAA (0.53) KDM4ETSHRALDH1A1MAPTHSD17B10
SCHEMBL6173638 0.63 PDE4B (0.51) KDM4ETSHRALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL5009791 0.62 GAA (0.51) KDM4ETSHRALDH1A1MAPTHSD17B10
SCHEMBL6171650 0.62 ALOX15 (0.58) KDM4ETSHRALDH1A1MAPTHSD17B10

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