Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9620467 | 0.94 | PKM (0.53) | ALDH1A1KDM4EKMT2AMEN1TSHR | |
| SCHEMBL9620614 | 0.89 | ALDH1A1 (0.58) | ALDH1A1KDM4EKMT2ATDP1MEN1 | |
| SCHEMBL9620583 | 0.89 | ALDH1A1 (0.57) | ALDH1A1KDM4EKMT2ATDP1MEN1 | |
| SCHEMBL9620636 | 0.88 | ALDH1A1 (0.55) | ALDH1A1KDM4EKMT2ATDP1MEN1 | |
| SCHEMBL10735758 | 0.84 | SMN1; SMN2 (0.47) | KDM4EKMT2AMEN1POLBTSHR | |
| SCHEMBL1961249 | 0.84 | KDM4E (0.64) | ALDH1A1KDM4EKMT2ATDP1MEN1 | |
| Hydrochloric Acid SCHEMBL10568440 | 0.83 | SMN1; SMN2 (0.47) | KDM4EKMT2AMEN1POLBTSHR | |
| SCHEMBL9620317 | 0.83 | PKM (0.56) | ALDH1A1KDM4EKMT2AMEN1LMNA | |
| SCHEMBL9811288 | 0.82 | KMT2A (0.44) | ALDH1A1KDM4EKMT2AMEN1LMNA | |
| SCHEMBL9620477 | 0.82 | KMT2A (0.53) | ALDH1A1KDM4EKMT2AMEN1TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0221511-A1 | 2-aminosulfonyl-6-nitrobenzoic esters or amides, process for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1987-05-13 | — | — | EP | claimed |
| US-4603133-A | Amides and esters of 2-[N-(morpholinoalkyl)aminosulfonyl]-6-nitrobenzoic acids and compositions useful as adjuncts to radiation therapy | MERCK & CO., INC. (US) | 1986-07-29 | — | — | US | claimed |
| EP-0221511-B1 | 2-AMINOSULFONYL-6-NITROBENZOIC ESTERS OR AMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1992-01-02 | — | — | EP | disclosed |
| EP-0221511-A1 | 2-aminosulfonyl-6-nitrobenzoic esters or amides, process for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1987-05-13 | — | — | EP | disclosed |
| US-4603133-A | Amides and esters of 2-[N-(morpholinoalkyl)aminosulfonyl]-6-nitrobenzoic acids and compositions useful as adjuncts to radiation therapy | MERCK & CO., INC. (US) | 1986-07-29 | — | — | US | disclosed |