SCHEMBL6975141

SCHEMBL6975141

COc1cc(OC)c(C(=O)Nc2nc(C(=O)NCCNC3CC3)cs2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.57
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.39
KDM1A O60341 1/20 0.38
PDE5A O76074 1/20 0.38
POLB P06746 1/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL6975943 0.84 ACHE (0.64) ACHEMEN1KMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL6970281 0.83 ACHE (0.59) ACHEMEN1KMT2AKDM4EMAPT
SCHEMBL6964592 0.82 KMT2A (0.52) ACHEMEN1KMT2AKDM4EMAPT
SCHEMBL6970114 0.82 ACHE (0.60) ACHEMEN1KMT2AKDM4EMAPT
SCHEMBL6975573 0.82 ACHE (0.67) ACHEMEN1KMT2AKDM4EMAPT
SCHEMBL6976204 0.80 ACHE (0.65) ACHEMEN1KMT2AKDM4EMAPT
SCHEMBL28440118 0.80 ACHE (0.85) ACHEMEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL8436144 0.79 ACHE (0.49) ACHEKDM4ELMNANPSR1HSD17B10
SCHEMBL6970981 0.79 ACHE (0.75) ACHEMEN1KMT2AKDM4EMAPT
SCHEMBL6958811 0.79 ACHE (0.64) ACHEMEN1KMT2AKDM4EMAPT

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