Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Nimustine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 2/20 | 0.96 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.96 |
| ▸ | LMNA | P02545 | 2/20 | 0.96 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | GSR | P00390 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TKT | P29401 | 3/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Nimustine SCHEMBL8414 | 0.98 | BLM (1.00) | BLMPMP22LMNANFKB1ALDH1A1 | |
| Nimustine SCHEMBL23301409 | 0.98 | BLM (1.00) | BLMPMP22LMNANFKB1ALDH1A1 | |
| Nimustine SCHEMBL1649545 | 0.97 | BLM (0.98) | BLMPMP22LMNANFKB1ALDH1A1 | |
| Nimustine SCHEMBL124427 | 0.97 | BLM (0.98) | BLMPMP22LMNANFKB1ALDH1A1 | |
| Nimustine SCHEMBL98303 | 0.97 | BLM (0.98) | BLMPMP22LMNANFKB1ALDH1A1 | |
| Nimustine SCHEMBL1580335 | 0.94 | BLM (0.92) | BLMPMP22LMNANFKB1ALDH1A1 | |
| Nimustine SCHEMBL5886061 | 0.87 | BLM (0.80) | BLMPMP22LMNANFKB1ALDH1A1 | |
| SCHEMBL25299723 | 0.86 | LMNA (0.79) | BLMPMP22LMNANFKB1TKT | |
| SCHEMBL17524414 | 0.86 | BLM (0.79) | BLMPMP22LMNANFKB1ALDH1A1 | |
| SCHEMBL6541875 | 0.81 | LMNA (0.71) | BLMPMP22LMNANFKB1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113292504-A | Synthesis method of nimustine hydrochloride | 海南通用康力制药有限公司 | 2021-08-24 | — | — | CN | disclosed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |