SCHEMBL6975419

SCHEMBL6975419

COc1ccc(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1NC=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.66
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 3/20 0.41
TSHR P16473 1/20 0.41
MAPKAPK2 P49137 4/20 0.41
MAPK1 P28482 3/20 0.41
MAP2K1 Q02750 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ABCB1 P08183 1/20 0.38
CPT1A P50416 2/20 0.38
CPT1B Q92523 2/20 0.38
GCK P35557 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 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
Fumaric Acid SCHEMBL6970521 0.90 ACHE (0.59) ACHELMNANPSR1HSD17B10HPGD
Fumaric Acid SCHEMBL6970532 0.90 ACHE (0.59) ACHELMNANPSR1HSD17B10HPGD
Hydrochloric Acid SCHEMBL6977826 0.89 ACHE (0.66) ACHELMNANPSR1HSD17B10HPGD
SCHEMBL1446753 0.89 ACHE (0.73) ACHELMNANPSR1HSD17B10HPGD
SCHEMBL6971513 0.88 ACHE (0.73) ACHELMNANPSR1HSD17B10HPGD
Hydrochloric Acid SCHEMBL6971297 0.87 ACHE (0.71) ACHELMNANPSR1HSD17B10HPGD
SCHEMBL6968551 0.86 ACHE (0.82) ACHELMNANPSR1HSD17B10HPGD
Hydrochloric Acid SCHEMBL6969946 0.86 ACHE (0.74) ACHELMNANPSR1HSD17B10HPGD
Hydrochloric Acid SCHEMBL6973117 0.86 ACHE (0.82) ACHELMNANPSR1HSD17B10HPGD
Maleic Acid SCHEMBL6968084 0.85 ACHE (0.67) ACHELMNANPSR1HSD17B10HPGD

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