SCHEMBL6969859

SCHEMBL6969859

CNc1nc(C(=O)NCCN(C)C)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
ACHE P22303 2/20 0.45
MAPK1 P28482 3/20 0.45
MAPKAPK2 P49137 2/20 0.45
MAP2K1 Q02750 1/20 0.45
RAD52 P43351 1/20 0.45
GAA P10253 1/20 0.44
AKT3 Q9Y243 1/20 0.44
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HIF1A Q16665 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
SCHEMBL2996975 0.81 USP2 (0.48) USP2MAPK1HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL6975254 0.80 NPC1 (0.58) ACHEMAPK1MAPKAPK2MAP2K1RAD52
SCHEMBL2996971 0.79 USP2 (0.46) USP2MAPK1MAPKAPK2MAP2K1HDAC3
SCHEMBL15996505 0.77 L3MBTL1 (0.45) GAAHDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL6958841 0.76 ACHE (0.54) USP2ACHEMAPK1MAPKAPK2MAP2K1
Hydrochloric Acid SCHEMBL6974456 0.76 ADORA3 (0.53) ACHEMAPK1MAPKAPK2MAP2K1RAD52
SCHEMBL18236192 0.76 HPGD (0.54) MAPKAPK2GAAHDAC3HDAC1HDAC2
SCHEMBL8697025 0.76 MAPKAPK2 (0.49) USP2ACHEMAPK1MAPKAPK2MAP2K1
SCHEMBL6971357 0.75 ACHE (0.66) ACHEMAPK1MAPKAPK2MAP2K1RAD52
SCHEMBL6967849 0.75 ACHE (0.80) USP2ACHEMAPK1MAPKAPK2MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed