SCHEMBL6282887

SCHEMBL6282887

O=S(=O)([O-])c1c(C(F)(F)C(F)(F)C(F)CC(F)(F)F)ccc2ccccc12.[Na+]

nearest known ligand 0.37

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 17)

geneUniProtsupporting neighboursconfidence
KCNJ11 known ✓ Q14654 3/20 0.31
ABCC8 known ✓ Q09428 1/20 0.30
NR1I2 O75469 1/20 0.37
SLC2A1 P11166 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ABCC9 O60706 1/20 0.30
KCNJ8 Q15842 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
SCHEMBL6282879 0.74 NR1I2 (0.46) NR1I2SLC2A1KCNJ11KDM4EMEN1
SCHEMBL7756721 0.71 NR1I2 (0.66) NR1I2KCNJ11ALDH1A1HSD17B10ABCC9
SCHEMBL6282885 0.68 NR1I2 (0.31) NR1I2
SCHEMBL11517176 0.67 NR1I2 (0.46) NR1I2KCNJ11MAPT
SCHEMBL31186510 0.65 CA1 (0.39) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL1203619 0.65 HSD17B10 (0.38) NR1I2ALDH1A1HSD17B10
SCHEMBL38655732 0.65 NQO2 (0.38) NR1I2SLC2A1ALDH1A1HSD17B10
SCHEMBL4314621 0.64 CA1 (0.41) NR1I2ALDH1A1HSD17B10
SCHEMBL3233249 0.64 CA1 (0.41) NR1I2ALDH1A1HSD17B10
SCHEMBL7159980 0.64 ATM (0.39) NR1I2SLC2A1KDM4EALDH1A1POLB

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