SCHEMBL6282879

SCHEMBL6282879

CC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc2ccccc2c1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.46

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)

geneUniProtsupporting neighboursconfidence
KCNJ11 known ✓ Q14654 10/20 0.34
ABCC8 known ✓ Q09428 6/20 0.34
CA1 known ✓ P00915 1/20 0.31
CA2 known ✓ P00918 1/20 0.31
NR1I2 O75469 1/20 0.46
ABCC9 O60706 6/20 0.34
KCNJ8 Q15842 6/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD17B2 P37059 1/20 0.32
CA9 Q16790 1/20 0.31

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
SCHEMBL6283707 0.85 KCNJ11 (0.37) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL7756721 0.81 NR1I2 (0.66) NR1I2KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL6282887 0.74 NR1I2 (0.37) NR1I2KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL11517176 0.73 NR1I2 (0.46) NR1I2KCNJ11MAPTHSD17B2
SCHEMBL6281667 0.71 CYP2D6 (0.40) ALDH1A1HPGDHSD17B10
SCHEMBL4314621 0.71 CA1 (0.41) NR1I2ALDH1A1HSD17B10CA1CA2
SCHEMBL3233249 0.71 CA1 (0.41) NR1I2ALDH1A1HSD17B10CA1CA2
SCHEMBL7159980 0.70 ATM (0.39) NR1I2KDM4EALDH1A1POLBGAA
SCHEMBL29446139 0.70 CYP2A6 (0.48) NR1I2KDM4EALDH1A1HPGDKMT2A
SCHEMBL339169 0.70 CYP2A6 (0.48) NR1I2KDM4EALDH1A1HPGDKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6912118-B2 Solid electrolytic capacitor SANYO ELECTRIC CO., LTD. (JP) 2005-06-28 US disclosed
US-20050088804-A1 SOLID ELECTROLYTIC CAPACITOR SANYO ELECTRIC CO., LTD. (JP) 2005-04-28 US disclosed