Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.37 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9499154 | 0.84 | AKR1B1 (0.43) | LMNAAKR1B1ALDH2SMN1; SMN2KDM4E | |
| SCHEMBL9333747 | 0.84 | ALDH2 (0.41) | LMNAAKR1B1ALDH2SMN1; SMN2KDM4E | |
| SCHEMBL9334566 | 0.83 | AKR1B1 (0.42) | LMNAAKR1B1ALDH2SMN1; SMN2KDM4E | |
| SCHEMBL9499446 | 0.77 | HTT (0.36) | LMNAAKR1B1ALDH2SMN1; SMN2KDM4E | |
| SCHEMBL11228880 | 0.73 | SMN1; SMN2 (0.67) | LMNAALDH2SMN1; SMN2KDM4EALDH1A2 | |
| SCHEMBL30901818 | 0.73 | KMT2A (0.60) | LMNASMN1; SMN2KDM4EKMT2ANPC1 | |
| SCHEMBL14588431 | 0.72 | HPGD (0.45) | LMNAALDH2SMN1; SMN2KDM4EALDH1A2 | |
| SCHEMBL11233028 | 0.72 | KDM1A (0.53) | LMNATDP1KMT2AMEN1MAPT | |
| SCHEMBL27576468 | 0.70 | SMN1; SMN2 (0.59) | LMNASMN1; SMN2KDM4EHPGDGAA | |
| Water SCHEMBL29125478 | 0.69 | SMN1; SMN2 (0.57) | LMNASMN1; SMN2KDM4EHPGDGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0409949-B1 | ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | ICI PLC (GB) | 1994-05-18 | — | — | EP | disclosed |
| EP-0409949-A1 | ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS. | ICI PLC (GB) | 1991-01-30 | — | — | EP | disclosed |
| WO-1990008763-A1 | ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-08-09 | — | — | WO | disclosed |