SCHEMBL6970669

SCHEMBL6970669

COc1cc(NC(C)=O)c(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.62
MAPK1 P28482 3/20 0.43
MAPKAPK2 P49137 2/20 0.43
MAP2K1 Q02750 1/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAD52 P43351 3/20 0.41
UHRF1 Q96T88 1/20 0.41
SMARCA2 P51531 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
AGER Q15109 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MOK Q9UQ07 1/20 0.38

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
Hydrochloric Acid SCHEMBL6973476 0.90 ACHE (0.64) ACHEMAPK1MAPKAPK2MAP2K1HSD17B10
SCHEMBL6971357 0.87 ACHE (0.66) ACHEMAPK1MAPKAPK2MAP2K1HSD17B10
SCHEMBL6967849 0.87 ACHE (0.80) ACHEMAPK1MAPKAPK2MAP2K1HSD17B10
SCHEMBL6976033 0.86 ACHE (0.65) ACHEMAPK1MAPKAPK2MAP2K1HSD17B10
Hydrochloric Acid SCHEMBL6976088 0.85 ACHE (0.65) ACHEMAPK1MAPKAPK2MAP2K1HSD17B10
Hydrochloric Acid SCHEMBL6969005 0.85 ACHE (0.65) ACHEMAPK1MAPKAPK2MAP2K1HSD17B10
SCHEMBL6958645 0.85 ACHE (0.69) ACHEMAPK1MAPKAPK2MAP2K1HSD17B10
Hydrochloric Acid SCHEMBL6971323 0.85 ACHE (0.65) ACHEMAPK1MAPKAPK2MAP2K1HSD17B10
SCHEMBL6974374 0.85 ACHE (0.62) ACHEMAPK1MAPKAPK2MAP2K1HSD17B10
Maleic Acid SCHEMBL6974397 0.84 ACHE (0.61) ACHEMAPK1MAPKAPK2MAP2K1HSD17B10

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