SCHEMBL6971272

SCHEMBL6971272

COc1cc(NC=O)ccc1C(=O)Nc1nc(C(=O)NCCN(C(C)C)C(C)C)cs1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.68
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 14/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MME P08473 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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 SCHEMBL6962311 0.89 ACHE (0.71) ACHEKDM4ENPC1MITFRAB9A
SCHEMBL6971513 0.88 ACHE (0.73) ACHEKDM4ENPC1MITFRAB9A
Hydrochloric Acid SCHEMBL6971297 0.87 ACHE (0.71) ACHEKDM4ENPC1MITFRAB9A
Hydrochloric Acid SCHEMBL6963780 0.86 ACHE (0.77) ACHEKDM4ENPC1MITFRAB9A
SCHEMBL6971196 0.86 ACHE (0.73) ACHEKDM4ENPC1MITFRAB9A
SCHEMBL6977275 0.85 ACHE (0.66) ACHEKDM4ENPC1MITFRAB9A
SCHEMBL6975419 0.85 ACHE (0.66) ACHEKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6968551 0.85 ACHE (0.82) ACHEKDM4ENPC1MITFRAB9A
SCHEMBL28440118 0.85 ACHE (0.85) ACHEKDM4ENPC1MITFRAB9A
Hydrochloric Acid SCHEMBL6973117 0.84 ACHE (0.82) ACHEKDM4ENPC1MITFRAB9A

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