SCHEMBL6976936

SCHEMBL6976936

COc1cc(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)c(OC)cc1OC(=O)/C=C\C(=O)Oc1cc(OC)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.75
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MITF O75030 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MME P08473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PDE5A O76074 1/20 0.34
MAPK1 P28482 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAP2K1 Q02750 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL6963794 1.00 ACHE (0.75) ACHEHSD17B10LMNANPSR1HPGD
SCHEMBL28440118 0.93 ACHE (0.85) ACHEHSD17B10LMNANPSR1HPGD
Maleic Acid SCHEMBL6969019 0.91 ACHE (0.77) ACHEHSD17B10LMNANPSR1HPGD
Fumaric Acid SCHEMBL6969029 0.91 ACHE (0.77) ACHEHSD17B10LMNANPSR1HPGD
SCHEMBL6976514 0.90 ACHE (0.60) ACHEHSD17B10LMNANPSR1HPGD
SCHEMBL1232737 0.89 ACHE (0.78) ACHEHSD17B10LMNANPSR1HPGD
Hydrochloric Acid SCHEMBL6966176 0.88 ACHE (0.79) ACHEHSD17B10LMNANPSR1HPGD
Hydrochloric Acid SCHEMBL6961321 0.87 ACHE (0.78) ACHEHSD17B10LMNANPSR1HPGD
Fumaric Acid SCHEMBL6977237 0.86 ACHE (0.69) ACHEHSD17B10LMNANPSR1HPGD
Fumaric Acid SCHEMBL6977225 0.86 ACHE (0.69) ACHEHSD17B10LMNANPSR1HPGD

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