SCHEMBL6975285

SCHEMBL6975285

COc1ccc(C(=O)Nc2nc(C(=O)OCCN(C)C)cs2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.76
NPSR1 Q6W5P4 1/20 0.76
HSD17B10 Q99714 1/20 0.76
HPGD P15428 3/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 8/20 0.52
KDM4E B2RXH2 4/20 0.52
ABCB1 P08183 1/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
HSP90AA1 P07900 2/20 0.51
MAPK1 P28482 2/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6968584 0.86 LMNA (1.00) LMNANPSR1HSD17B10HPGDTSHR
SCHEMBL6976220 0.86 LMNA (0.55) LMNANPSR1HSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL6971361 0.82 LMNA (0.61) LMNANPSR1HSD17B10HPGDTSHR
Fumaric Acid SCHEMBL6977189 0.80 NPSR1 (0.59) LMNANPSR1HSD17B10HPGDTSHR
Fumaric Acid SCHEMBL6969916 0.80 LMNA (0.59) LMNANPSR1HSD17B10HPGDTSHR
Fumaric Acid SCHEMBL6977193 0.80 NPSR1 (0.59) LMNANPSR1HSD17B10HPGDTSHR
Maleic Acid SCHEMBL6969903 0.80 LMNA (0.59) LMNANPSR1HSD17B10HPGDTSHR
Fumaric Acid SCHEMBL6968706 0.79 LMNA (0.58) LMNANPSR1HSD17B10HPGDTSHR
Fumaric Acid SCHEMBL6968697 0.79 LMNA (0.58) LMNANPSR1HSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL8432666 0.78 NPSR1 (0.62) LMNANPSR1HSD17B10HPGDTSHR

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