SCHEMBL5757288

SCHEMBL5757288

COc1ccc(-c2nc3ccc(OC(=O)N(C)C)cc3s2)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.58
APP P05067 5/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
SULT1A1 P50225 1/20 0.50
ALK Q9UM73 1/20 0.49
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
NPC1 O15118 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
MPI P34949 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5754226 0.89 SULT1A1 (0.48) CA2APPGLAGAASULT1A1
SCHEMBL5756650 0.87 CA2 (0.60) CA2NPC1RAB9AMEN1MAPT
SCHEMBL5756092 0.84 SULT1A1 (0.50) APPGLAGAASULT1A1ALK
SCHEMBL5754836 0.81 KDM4E (0.54) APPGAASULT1A1ALKHSD17B1
SCHEMBL5761063 0.79 NPC1 (0.53) APPGLAGAASULT1A1ALK
SCHEMBL5757681 0.79 APP (0.47) APPSULT1A1ALKNPC1HTT
SCHEMBL4287939 0.78 APP (0.67) APPGLAGAASULT1A1ALK
SCHEMBL5761015 0.78 CA2 (0.48) CA2APPGAANPC1RAB9A
SCHEMBL5757275 0.77 SULT1A1 (0.47) APPSULT1A1ALKHSD17B1HSD17B2
SCHEMBL5981201 0.76 MAPT (0.71) APPGLAGAASULT1A1NPC1

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
EP-1539723-B1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2006-05-24 EP claimed