SCHEMBL6975229

SCHEMBL6975229

CCN(CC)CCNC(=O)c1csc(NC(=O)c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HSD17B10 Q99714 1/20 0.66
ACHE P22303 2/20 0.56
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
RAD52 P43351 1/20 0.47
AHR P35869 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL1446753 0.87 ACHE (0.73) LMNANPSR1HSD17B10ACHEALDH1A1
Maleic Acid SCHEMBL6969903 0.85 LMNA (0.59) LMNANPSR1HSD17B10ACHEALDH1A1
Fumaric Acid SCHEMBL6969916 0.85 LMNA (0.59) LMNANPSR1HSD17B10ACHEALDH1A1
Hydrochloric Acid SCHEMBL6967294 0.85 NPSR1 (0.66) LMNANPSR1HSD17B10ACHEALDH1A1
Hydrochloric Acid SCHEMBL6966809 0.85 NPSR1 (0.66) LMNANPSR1HSD17B10ACHEALDH1A1
Hydrochloric Acid SCHEMBL6971361 0.85 LMNA (0.61) LMNANPSR1HSD17B10ACHETMEM97
Hydrochloric Acid SCHEMBL6974895 0.83 NPSR1 (0.64) LMNANPSR1HSD17B10ACHEALDH1A1
SCHEMBL6976547 0.83 NPSR1 (0.64) LMNANPSR1HSD17B10ACHEALDH1A1
Maleic Acid SCHEMBL6968084 0.83 ACHE (0.67) LMNANPSR1HSD17B10ACHEALDH1A1
Fumaric Acid SCHEMBL6968092 0.83 ACHE (0.67) LMNANPSR1HSD17B10ACHEALDH1A1

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