SCHEMBL6966110

SCHEMBL6966110

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

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.76
NPC1 O15118 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
POLB P06746 3/20 0.52
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43

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 SCHEMBL6961722 0.93 ACHE (0.72) ACHENPC1CYP3A4GAAPOLB
SCHEMBL6971333 0.90 ACHE (0.61) ACHENPC1CYP3A4GAAPOLB
Hydrochloric Acid SCHEMBL6971698 0.90 ACHE (0.70) ACHENPC1CYP3A4GAAPOLB
Hydrochloric Acid SCHEMBL6973563 0.88 ACHE (0.68) ACHENPC1CYP3A4GAAPOLB
SCHEMBL28440118 0.88 ACHE (0.85) ACHENPC1POLBLMNAALDH1A1
Hydrochloric Acid SCHEMBL6973844 0.86 ACHE (0.81) ACHENPC1POLBLMNAALDH1A1
Acotiamide SCHEMBL28293346 0.86 ACHE (1.00) ACHENPC1GAAPOLBLMNA
Acotiamide SCHEMBL1043131 0.86 ACHE (1.00) ACHENPC1GAAPOLBLMNA
Acotiamide SCHEMBL30872102 0.86 ACHE (1.00) ACHENPC1GAAPOLBLMNA
SCHEMBL6976759 0.86 ACHE (0.68) ACHENPC1LMNAALDH1A1SMN1; SMN2

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