SCHEMBL5757590

SCHEMBL5757590

COc1cccc(O)c1-c1nc2ccc(OC(=O)O)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
KMT2A Q03164 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 3/20 0.44
APP P05067 1/20 0.44
SULT1A1 P50225 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CSNK1D P48730 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42

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
SCHEMBL5756078 0.85 KDM4E (0.55) CA2KMT2ARAB9AMEN1NPC1
SCHEMBL5761063 0.78 NPC1 (0.53) RAB9ANPC1APPSULT1A1SMN1; SMN2
SCHEMBL5755215 0.76 MAPK1 (0.52) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL5758909 0.72 ILK (0.55) APPGAA
SCHEMBL5760456 0.72 MAPT (0.48) CA2KMT2ARAB9ANPC1APP
SCHEMBL686543 0.71 ILK (0.73)
SCHEMBL17801689 0.70 NPC1 (0.56) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL11024521 0.69 KMT2A (0.57) CA2KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5756650 0.68 CA2 (0.60) CA2KMT2ARAB9AMEN1NPC1
SCHEMBL12095376 0.68 SMN1; SMN2 (0.67) KMT2ARAB9AMEN1NPC1APP

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