SCHEMBL6975943

SCHEMBL6975943

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.64
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MITF O75030 1/20 0.42
MME P08473 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDE5A O76074 1/20 0.39
POLB P06746 1/20 0.39
ALPL P05186 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PANK3 Q9H999 1/20 0.37

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 SCHEMBL6977080 0.92 ACHE (0.67) ACHELMNANPSR1HSD17B10HPGD
SCHEMBL28101524 0.92 ACHE (0.76) ACHELMNANPSR1HSD17B10HPGD
Hydrochloric Acid SCHEMBL6971269 0.91 ACHE (0.76) ACHELMNANPSR1HSD17B10HPGD
Hydrochloric Acid SCHEMBL28157448 0.91 ACHE (0.76) ACHELMNANPSR1HSD17B10HPGD
Hydrochloric Acid SCHEMBL31375036 0.90 ACHE (0.75) ACHELMNANPSR1HSD17B10HPGD
SCHEMBL28440118 0.86 ACHE (0.85) ACHELMNANPSR1HSD17B10HPGD
SCHEMBL6970981 0.85 ACHE (0.75) ACHELMNANPSR1HSD17B10HPGD
Hydrochloric Acid SCHEMBL6970281 0.84 ACHE (0.59) ACHELMNANPSR1HSD17B10HPGD
SCHEMBL6964266 0.84 ACHE (0.70) ACHELMNANPSR1HSD17B10HPGD
Hydrochloric Acid SCHEMBL6961321 0.84 ACHE (0.78) ACHELMNANPSR1HSD17B10HPGD

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