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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 13/20 | 0.80 |
| ▸ | CA2 known ✓ | P00918 | 13/20 | 0.80 |
| ▸ | CA12 known ✓ | O43570 | 11/20 | 0.80 |
| ▸ | CA9 | Q16790 | 13/20 | 0.80 |
| ▸ | CASP3 | P42574 | 3/20 | 0.47 |
| ▸ | CASP7 | P55210 | 3/20 | 0.47 |
| ▸ | CASP6 | P55212 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18954724 | 0.92 | CA1 (0.77) | CA1CA2CA9CA12CASP3 | |
| SCHEMBL18954628 | 0.88 | CA1 (0.78) | CA1CA2CA9CA12CASP3 | |
| SCHEMBL18954575 | 0.81 | CA1 (0.78) | CA1CA2CA9CA12CASP3 | |
| SCHEMBL18954802 | 0.81 | CHRM5 (0.60) | CA1CA2CA9CA12CASP3 | |
| SCHEMBL18974311 | 0.80 | CA12 (0.67) | CA1CA2CA9CA12 | |
| SCHEMBL18954842 | 0.80 | CA1 (0.56) | CA1CA2CA9CA12CASP3 | |
| SCHEMBL18954707 | 0.80 | CA1 (1.00) | CA1CA2CA9CA12 | |
| SCHEMBL18954723 | 0.79 | CA1 (0.76) | CA1CA2CA9CA12CASP3 | |
| SCHEMBL18954736 | 0.78 | CA1 (0.62) | CA1CA2CA9CA12CASP3 | |
| SCHEMBL18954922 | 0.78 | CA1 (0.79) | CA1CA2CA9CA12CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017099695-A1 | N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS | ISTANBUL UNIVERSITESI REKTORLUGU (TR) | 2017-06-15 | — | — | WO | disclosed |