SCHEMBL6970513

SCHEMBL6970513

COc1ccc(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)c(O)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.77
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
KLKB1 P03952 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 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
Acotiamide SCHEMBL30872102 0.87 ACHE (1.00) ACHEMEN1KMT2ANPC1RAB9A
Acotiamide SCHEMBL28293346 0.87 ACHE (1.00) ACHEMEN1KMT2ANPC1RAB9A
Acotiamide SCHEMBL1043131 0.87 ACHE (1.00) ACHEMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL6963780 0.86 ACHE (0.77) ACHEMEN1KMT2ANPC1RAB9A
Acotiamide SCHEMBL6968566 0.86 ACHE (1.00) ACHEMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL6973893 0.85 ACHE (0.91) ACHEMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL6975742 0.85 ACHE (0.91) ACHEMEN1KMT2ANPC1RAB9A
Acotiamide SCHEMBL27938245 0.85 ACHE (0.98) ACHEMEN1KMT2ANPC1RAB9A
Acotiamide SCHEMBL29362154 0.85 ACHE (0.98) ACHEMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL6968413 0.84 ACHE (0.86) ACHEMEN1KMT2ANPC1RAB9A

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 2 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
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