SCHEMBL6972242

SCHEMBL6972242

COc1ccc(CN(CCNC(=O)c2csc(NC(=O)c3cc(OC)c(OC)cc3OC)n2)C(C)C)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.63
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OPRM1 P35372 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
MAPK10 P53779 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.42

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 SCHEMBL6972566 0.92 ACHE (0.63) ACHEMEN1KMT2APOLBLMNA
SCHEMBL6964266 0.89 ACHE (0.70) ACHEMEN1KMT2APOLBLMNA
Hydrochloric Acid SCHEMBL6963844 0.87 ACHE (0.70) ACHEMEN1KMT2APOLBLMNA
Hydrochloric Acid SCHEMBL6976463 0.86 ACHE (0.69) ACHEMEN1KMT2APOLBLMNA
SCHEMBL6972546 0.86 ACHE (0.67) ACHEMEN1KMT2APOLBLMNA
Hydrochloric Acid SCHEMBL6973658 0.86 ACHE (0.69) ACHEMEN1KMT2APOLBLMNA
SCHEMBL28440118 0.85 ACHE (0.85) ACHEMEN1KMT2APOLBLMNA
SCHEMBL6963786 0.84 ACHE (0.58) ACHEMEN1KMT2APOLBLMNA
Hydrochloric Acid SCHEMBL6958617 0.84 ACHE (0.67) ACHEMEN1KMT2APOLBLMNA
SCHEMBL6970981 0.84 ACHE (0.75) ACHEMEN1KMT2APOLBLMNA

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