SCHEMBL8324852

SCHEMBL8324852

Cn1c(=O)c2ccccc2c2nn(-c3ccc(Cl)cc3)c(O)c21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
NPSR1 Q6W5P4 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
LMNA P02545 1/20 0.44
ABCB1 P08183 6/20 0.42
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
KDM4E B2RXH2 1/20 0.41
AURKA O14965 1/20 0.41
SYK P43405 1/20 0.41
CA9 Q16790 1/20 0.40

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
SCHEMBL8523766 0.87 KDM4E (0.39) GAASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8604054 0.86 GAA (0.49) GAASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8320581 0.84 NPSR1 (0.48) RAB9ANPSR1ADORA3LMNAKDM4E
SCHEMBL8523787 0.73 NPC1 (0.52) GAASMN1; SMN2RAB9ANPC1ADORA3
Water SCHEMBL8466755 0.69 NPC1 (0.42) GAASMN1; SMN2RAB9ANPC1ADORA3
SCHEMBL8462289 0.68 MAPT (0.47) RAB9ANPSR1ADORA3KDM4ESYK
SCHEMBL8321791 0.68 L3MBTL1 (0.39) GAARAB9ANPSR1ADORA3KDM4E
SCHEMBL8322376 0.68 SMN1; SMN2 (0.49) GAASMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL4060439 0.67 GAA (0.68) GAASMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL8460257 0.67 NPSR1 (0.46) RAB9ANPSR1ADORA3LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP claimed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO claimed
EP-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP disclosed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO disclosed