SCHEMBL6974802

SCHEMBL6974802

COc1ccc(C(=O)Nc2nc(C(=O)NCCN3CCCCC3=O)cs2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
MAPK1 P28482 3/20 0.49
RXFP1 Q9HBX9 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 2/20 0.44
ACHE P22303 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.44
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL6967900 0.97 NPSR1 (0.56) NPSR1LMNAHSD17B10ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6970908 0.86 LMNA (0.59) NPSR1LMNAHSD17B10ALDH1A1KMT2A
Fumaric Acid SCHEMBL6960310 0.83 LMNA (0.55) NPSR1LMNAHSD17B10ALDH1A1KMT2A
Maleic Acid SCHEMBL6960299 0.83 LMNA (0.55) NPSR1LMNAHSD17B10ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6969439 0.82 LMNA (0.59) NPSR1LMNAHSD17B10ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6974987 0.82 LMNA (0.59) NPSR1LMNAHSD17B10ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6966809 0.79 NPSR1 (0.66) NPSR1LMNAHSD17B10ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6967294 0.79 NPSR1 (0.66) NPSR1LMNAHSD17B10ALDH1A1KMT2A
Maleic Acid SCHEMBL6969690 0.78 LMNA (0.53) NPSR1LMNAHSD17B10ALDH1A1KMT2A
Fumaric Acid SCHEMBL6969703 0.78 LMNA (0.53) NPSR1LMNAHSD17B10ALDH1A1KMT2A

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