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 | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 10/20 | 0.54 |
| ▸ | TOP2B | Q02880 | 9/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | KDM1A | O60341 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9301749 | 0.94 | TOP2A (0.56) | TOP2ATOP2BLMNAL3MBTL1KDM1A | |
| SCHEMBL9300948 | 0.91 | TOP2A (0.56) | TOP2ATOP2BLMNAL3MBTL1KDM1A | |
| SCHEMBL9301757 | 0.87 | TOP2A (0.57) | TOP2ATOP2BLMNAL3MBTL1KDM1A | |
| SCHEMBL9301457 | 0.87 | TOP2A (0.60) | TOP2ATOP2BLMNAL3MBTL1KDM1A | |
| SCHEMBL9300335 | 0.86 | TOP2A (0.56) | TOP2ATOP2BLMNAL3MBTL1KDM1A | |
| SCHEMBL9299881 | 0.85 | TOP2A (0.59) | TOP2ATOP2BLMNAL3MBTL1KDM1A | |
| SCHEMBL9300742 | 0.85 | TOP2A (0.57) | TOP2ATOP2BL3MBTL1KDM1APOLB | |
| SCHEMBL9300333 | 0.84 | TOP2A (0.59) | TOP2ATOP2BLMNAL3MBTL1KDM1A | |
| SCHEMBL9300667 | 0.81 | TOP2A (0.53) | TOP2ATOP2BLMNAL3MBTL1KDM1A | |
| SCHEMBL9301435 | 0.81 | TOP2A (0.53) | TOP2ATOP2BLMNAL3MBTL1KDM1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5354864-A | Antitumor agents | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1994-10-11 | — | — | US | claimed |
| WO-1993023049-A1 | 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1993-11-25 | — | — | WO | claimed |
| US-5354864-A | Antitumor agents | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1994-10-11 | — | — | US | disclosed |
| WO-1993023049-A1 | 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1993-11-25 | — | — | WO | disclosed |