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 | 0.97 | TSHR (0.93) | — | |
| Benzonitrile SCHEMBL2733335 | 0.97 | — | — | |
| Benzonitrile SCHEMBL27280535 | 0.97 | — | — | |
| Benzonitrile SCHEMBL6071819 | 0.94 | TSHR (0.88) | — | |
| Benzonitrile SCHEMBL1404152 | 0.94 | — | — | |
| Benzonitrile SCHEMBL11044747 | 0.94 | — | — | |
| Benzonitrile SCHEMBL30929383 | 0.94 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL6640 | 0.94 | — | — | |
| Benzonitrile SCHEMBL21752925 | 0.94 | — | — | |
| Benzonitrile SCHEMBL9464940 | 0.94 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108135175-A | Bicyclic compounds and their use for inhibition of SUV39H2 | 肿瘤疗法科学股份有限公司 | 2018-06-08 | — | — | CN | disclosed |