SCHEMBL6974077

SCHEMBL6974077

COc1cc(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)c(O)cc1N

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.86
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GCK P35557 3/20 0.38
MME P08473 1/20 0.37
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APP P05067 2/20 0.35
PDE5A O76074 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.35
ADRA2A P08913 2/20 0.35

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
SCHEMBL6972097 0.96 ACHE (0.86) ACHEHPGDTSHRLMNANPSR1
Acotiamide SCHEMBL28293346 0.93 ACHE (1.00) ACHEHPGDTSHRLMNANPSR1
Acotiamide SCHEMBL1043131 0.93 ACHE (1.00) ACHEHPGDTSHRLMNANPSR1
Acotiamide SCHEMBL30872102 0.93 ACHE (1.00) ACHEHPGDTSHRLMNANPSR1
Acotiamide SCHEMBL6968566 0.92 ACHE (1.00) ACHEHPGDTSHRLMNANPSR1
Acotiamide SCHEMBL27938245 0.91 ACHE (0.98) ACHEHPGDTSHRLMNANPSR1
Acotiamide SCHEMBL29362154 0.91 ACHE (0.98) ACHEHPGDTSHRLMNANPSR1
Hydrochloric Acid SCHEMBL6975742 0.91 ACHE (0.91) ACHEHPGDTSHRLMNANPSR1
Hydrochloric Acid SCHEMBL6976423 0.90 ACHE (0.74) ACHEHPGDTSHRLMNANPSR1
Hydrochloric Acid SCHEMBL6973893 0.89 ACHE (0.91) ACHEHPGDTSHRLMNANPSR1

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