SCHEMBL6971333

SCHEMBL6971333

COc1cc(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.61
POLB P06746 3/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.47
PKM P14618 1/20 0.45

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
SCHEMBL6966110 0.90 ACHE (0.76) ACHEPOLBALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL6971323 0.86 ACHE (0.65) ACHEPOLBALDH1A1LMNAHPGD
SCHEMBL6971357 0.85 ACHE (0.66) ACHEPOLBALDH1A1LMNAHPGD
SCHEMBL6967849 0.85 ACHE (0.80) ACHEPOLBLMNAHPGDSMN1; SMN2
SCHEMBL6976033 0.85 ACHE (0.65) ACHEPOLBLMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6976088 0.84 ACHE (0.65) ACHEPOLBLMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6969005 0.84 ACHE (0.65) ACHEPOLBALDH1A1LMNAHPGD
SCHEMBL6958645 0.84 ACHE (0.69) ACHEPOLBLMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6961722 0.83 ACHE (0.72) ACHEPOLBALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL6973476 0.83 ACHE (0.64) ACHEPOLBALDH1A1LMNAHPGD

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