SCHEMBL6972657

SCHEMBL6972657

COc1cc(OC)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1NC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.71
AGER Q15109 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MME P08473 1/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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 SCHEMBL6975072 0.96 ACHE (0.75) ACHEAGERHPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL6966693 0.92 ACHE (0.84) ACHEAGERHPGDTSHRHSD17B10
SCHEMBL28440118 0.91 ACHE (0.85) ACHEHPGDTSHRHSD17B10LMNA
Hydrochloric Acid SCHEMBL6965954 0.90 ACHE (0.69) ACHEAGERHPGDTSHRLMNA
Hydrochloric Acid SCHEMBL6971297 0.90 ACHE (0.71) ACHEHPGDTSHRHSD17B10LMNA
SCHEMBL6971513 0.87 ACHE (0.73) ACHEAGERHPGDTSHRHSD17B10
SCHEMBL1232737 0.86 ACHE (0.78) ACHEHPGDTSHRHSD17B10LMNA
Hydrochloric Acid SCHEMBL6976423 0.86 ACHE (0.74) ACHEHPGDTSHRHSD17B10LMNA
Hydrochloric Acid SCHEMBL6968413 0.86 ACHE (0.86) ACHEHPGDTSHRHSD17B10LMNA
Hydrochloric Acid SCHEMBL6962311 0.86 ACHE (0.71) ACHENPC1RAB9AKDM4EMITF

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