Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of S-1360. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| S-1360 SCHEMBL10070153 | 0.99 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19LMNA | |
| S-1360 SCHEMBL3221454 | 0.99 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4678961 | 0.90 | PTGER1 (0.36) | L3MBTL1SENP7SENP6POLBMAPT | |
| SCHEMBL4672893 | 0.89 | SMN1; SMN2 (0.34) | CYP1A2CYP2C9CYP2C19L3MBTL1MAPK1 | |
| SCHEMBL4678600 | 0.89 | HSD17B10 (0.41) | LMNATSHRPOLBMAPTALDH1A1 | |
| SCHEMBL4672214 | 0.89 | MAPT (0.33) | LMNATSHRL3MBTL1POLBMAPT | |
| SCHEMBL4676480 | 0.88 | KDM5A (0.36) | L3MBTL1POLBMAPTTDP1NPC1 | |
| SCHEMBL4671675 | 0.88 | LMNA (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4676637 | 0.88 | ELANE (0.33) | TDP1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL4672873 | 0.88 | ALDH1A1 (0.41) | CYP1A2CYP2C19LMNAPOLBMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831177-B1 | Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives | SHIONOGI & CO., LTD. (JP) | 2004-12-14 | — | — | US | disclosed |
| EP-1186599-A1 | NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2002-03-13 | — | — | EP | disclosed |