SCHEMBL6707340

SCHEMBL6707340

COC(=O)c1csc(NS(C)(=O)=O)n1.CS(=O)(=O)Nc1nc(C(=O)O)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
CTPS1 P17812 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOA P21397 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
SCHEMBL5929882 0.94 CYP1A2 (0.44) L3MBTL1NPC1RAB9AGAAHDAC3
SCHEMBL3351804 0.91 L3MBTL1 (0.60) L3MBTL1POLBNPC1RAB9AGAA
SCHEMBL9660491 0.79 L3MBTL1 (0.45) L3MBTL1POLBNPC1RAB9AGAA
SCHEMBL6570711 0.77 HDAC3 (0.44) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL31560011 0.77 CYP1A2 (0.44) NPC1RAB9AGAAHDAC3HDAC4
SCHEMBL8649160 0.77 GAA (0.65) L3MBTL1POLBNPC1RAB9AGAA
SCHEMBL9660925 0.77 GAA (0.65) L3MBTL1POLBNPC1RAB9AGAA
SCHEMBL28305561 0.77 L3MBTL1 (0.57) L3MBTL1POLBNPC1RAB9AGAA
SCHEMBL31560000 0.76 CA12 (0.46) NPC1RAB9AGAAHDAC3HDAC4
SCHEMBL31560021 0.76 CYP1A2 (0.43) NPC1RAB9AGAAHDAC3HDAC4

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-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed