Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.46 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.55 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.55 |
| ▸ | NGFR | P08138 | 1/20 | 0.55 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | POLB | P06746 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9349753 | 1.00 | FTO (0.55) | FTONTRK1NGFRPABPC1CA12 | |
| SCHEMBL9348432 | 1.00 | FTO (0.55) | FTONTRK1NGFRPABPC1CA12 | |
| Bisnafide SCHEMBL9136352 | 0.99 | FTO (0.56) | FTONTRK1NGFRPABPC1CA12 | |
| Bisnafide SCHEMBL9401929 | 0.99 | FTO (0.56) | FTONTRK1NGFRPABPC1CA12 | |
| Bisnafide SCHEMBL9135842 | 0.99 | FTO (0.56) | FTONTRK1NGFRPABPC1CA12 | |
| Bisnafide SCHEMBL9136711 | 0.99 | FTO (0.56) | FTONTRK1NGFRPABPC1CA12 | |
| Bisnafide SCHEMBL3726 | 0.99 | FTO (0.56) | FTONTRK1NGFRPABPC1CA12 | |
| SCHEMBL9348633 | 0.95 | FTO (0.60) | FTONTRK1NGFRPABPC1CA12 | |
| SCHEMBL9238619 | 0.95 | FTO (0.60) | FTONTRK1NGFRPABPC1CA12 | |
| SCHEMBL9352511 | 0.95 | FTO (0.60) | FTONTRK1NGFRPABPC1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5376664-A | Unsymmetrical mono-3-nitro bis-naphthalimides as anticancer agents | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-12-27 | — | — | US | claimed |
| WO-1994002466-A1 | UNSYMMETRICAL MONO-3-NITRO BIS-NAPHTHALIMIDES AS ANTICANCER AGENTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-02-03 | — | — | WO | claimed |
| US-5376664-A | Unsymmetrical mono-3-nitro bis-naphthalimides as anticancer agents | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-12-27 | — | — | US | disclosed |