SCHEMBL31148877

SCHEMBL31148877

[C-]#[N+]c1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.40

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 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 2/20 0.33
DUSP5 Q16690 2/20 0.33
DUSP6 Q16828 1/20 0.33
HTR6 P50406 1/20 0.33
NR1I2 O75469 1/20 0.33
PLCG1 P19174 1/20 0.32
PKLR P30613 1/20 0.30

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL19953365 0.79 LMNA (0.55) LMNATDP1PTPN1DUSP5DUSP6
SCHEMBL4545230 0.76 ALDH1A1 (0.48) TDP1HTR6
SCHEMBL31247839 0.76 F2 (0.42) HTR6
SCHEMBL12049295 0.76 CA2 (0.54) TDP1
SCHEMBL1941777 0.73 LMNA (0.37) LMNATDP1PTPN1DUSP5DUSP6
SCHEMBL11887989 0.73 HTR6 (0.61) LMNATDP1HTR6
SCHEMBL28934944 0.73 LMNA (0.48) LMNATDP1PTPN1DUSP5DUSP6
Potassium Ion SCHEMBL1538011 0.73 LMNA (0.48) LMNATDP1PTPN1DUSP5DUSP6
SCHEMBL6110774 0.71 ALDH1A1 (0.43) LMNATDP1HTR6
SCHEMBL3171668 0.71 CA12 (0.52) LMNATDP1PTPN1DUSP5DUSP6

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772206-A Isocyanorhodium (I) zwitterionic complex, preparation method thereof, micelle, nano diagnosis and treatment probe and anticancer drug 兰州大学 2024-10-15 CN disclosed