SCHEMBL11368747

SCHEMBL11368747

O=c1c2cc(S(=O)(=O)[O-])ccc2n(Cl)c(=O)n1Cl.[Na+]

nearest known ligand 0.42

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 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 2/20 0.42
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PARG Q86W56 8/20 0.37
▸ PKM P14618 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ MITF O75030 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ DUSP5 Q16690 1/20 0.35
▸ TAS2R14 Q9NYV8 3/20 0.35
▸ SLC7A11 Q9UPY5 1/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11355450 0.83 PIK3CG (0.42) PIK3CGLMNATDP1PARGPKM
SCHEMBL11368744 0.82 PIK3CG (0.41) PIK3CGLMNATDP1PARGPKM
SCHEMBL3826523 0.65 LMNA (0.47) LMNATDP1PKMPTPN1DUSP5
SCHEMBL28031250 0.65 DUSP5 (0.48) LMNATDP1PTPN1DUSP5SLC7A11
SCHEMBL11681994 0.62 TDP1 (0.48) LMNATDP1PTPN1DUSP5SLC7A11
SCHEMBL3816117 0.61 DUSP5 (0.52) LMNATDP1PKMPTPN1DUSP5
SCHEMBL3383187 0.61 LMNA (0.52) LMNATDP1PKMPTPN1DUSP5
Lithium Ion SCHEMBL3824934 0.61 LMNA (0.42) LMNATDP1PKMPTPN1DUSP5
Potassium Ion SCHEMBL3820804 0.61 LMNA (0.42) LMNATDP1PKMPTPN1DUSP5
SCHEMBL5292700 0.61 DUSP5 (0.46) LMNATDP1PKMPTPN1DUSP5

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
US-4267325-A Bleaching agents CADBURY-SCHWEPPES LIMITED (GB) 1981-05-12 — — US disclosed
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