Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Benzonitrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL27497283 | 1.00 | TSHR (0.93) | — | |
| Benzonitrile SCHEMBL6071819 | 0.97 | TSHR (0.88) | — | |
| Benzonitrile SCHEMBL28220117 | 0.97 | — | — | |
| Benzonitrile SCHEMBL11044747 | 0.97 | — | — | |
| Benzonitrile SCHEMBL30929383 | 0.97 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL27363057 | 0.97 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL6640 | 0.97 | — | — | |
| Benzonitrile SCHEMBL21752925 | 0.97 | — | — | |
| Benzonitrile SCHEMBL9464940 | 0.97 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL27793280 | 0.97 | TSHR (1.00) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023237534-A1 | A PROCESS FOR PREPARING ISAVUCONAZONIUM SULFATE | ZAKLADY FARMACEUTYCZNE POLPHARMA S.A. (PL) | 2023-12-14 | — | — | WO | disclosed |
| CN-108698992-A | 2- cyano isoindoline derivatives for treating cancer | 特殊治疗有限公司 | 2018-10-23 | — | — | CN | disclosed |
| US-9056859-B2 | Inhibitors of the renal outer medullary potassium channel | MERCK SHARP & DOHME CORP. (US) | 2015-06-16 | — | — | US | disclosed |
| EP-2632464-B1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME (US) | 2015-04-29 | — | — | EP | disclosed |
| EP-2632464-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| US-20130217680-A1 | Inhibitors of the Renal Outer Medullary Potassium Channel | MERCK SHARP & DOHME LLC | 2013-08-22 | — | — | US | disclosed |
| WO-2012058134-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |
| EP-2054410-A2 | OXAZOLIDONE DERIVATIVES AS PR MODULATORS | Wyeth (US) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008021331-A2 | OXAZOLIDONE DERIVATIVES AS PR MODULATORS | WYETH (US) | 2008-02-21 | — | — | WO | disclosed |
| CN-1120535-A | Method for synthesizing 5-[1-hydroxy-2-(isopropylamino)ethyl] aminobenzonitrile | UNIV BEIJING AGRICULT (CN) | 1996-04-17 | — | — | CN | disclosed |