Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 2-Chloropyridine. 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.42 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 2-Chloropyridine SCHEMBL7769567 | 0.86 | TDP1 (0.76) | TDP1CES2CES1P4HTMLMNA | |
| 2-Chloropyridine SCHEMBL28789823 | 0.86 | TDP1 (0.76) | TDP1CES2CES1P4HTMLMNA | |
| 2-Chloropyridine SCHEMBL5718309 | 0.84 | TDP1 (0.73) | TDP1CES2CES1P4HTMLMNA | |
| 2-Chloropyridine SCHEMBL28051574 | 0.84 | TDP1 (0.73) | TDP1CES2CES1P4HTMLMNA | |
| 2-Chloropyridine SCHEMBL27450572 | 0.84 | — | — | |
| 2-Chloropyridine SCHEMBL28283275 | 0.83 | TDP1 (1.00) | TDP1CES2CES1P4HTMLMNA | |
| 2-Chloropyridine SCHEMBL16637 | 0.83 | — | — | |
| 2-Chloropyridine SCHEMBL10690176 | 0.83 | TDP1 (1.00) | TDP1CES2CES1P4HTMLMNA | |
| 2-Chloropyridine SCHEMBL29402311 | 0.83 | — | — | |
| 2-Chloropyridine SCHEMBL11389784 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105324376-B | Heteroaromatics and its purposes as dopamine D 1 part | 辉瑞大药厂 | 2017-06-23 | — | — | CN | disclosed |
| CN-105324376-A | Heteroaromatic compounds and their use as dopamine d1 ligands | PFIZER | 2016-02-10 | — | — | CN | disclosed |