SCHEMBL6428986

SCHEMBL6428986

CCCCCCCCCCCCCCCCCC(F)CCCCCCCCOc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.53

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
CA12 known ✓ O43570 2/20 0.50
CA1 known ✓ P00915 2/20 0.50
CA2 known ✓ P00918 2/20 0.50
THRA known ✓ P10827 1/20 0.43
THRB known ✓ P10828 1/20 0.43
NR1I2 O75469 1/20 0.53
TSHR P16473 3/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NR5A1 Q13285 1/20 0.45
SLC2A1 P11166 1/20 0.45
TP53 P04637 1/20 0.44
MMP3 P08254 1/20 0.44
PLA2G4B P0C869 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10950170 0.89 TSHR (0.62) NR1I2TSHRCA12CA1CA2
SCHEMBL8421760 0.89 TSHR (0.62) NR1I2TSHRCA12CA1CA2
SCHEMBL3266551 0.89 TSHR (0.62) NR1I2TSHRCA12CA1CA2
SCHEMBL8570743 0.89 TSHR (0.62) NR1I2TSHRCA12CA1CA2
SCHEMBL7368026 0.84 CA12 (0.68) NR1I2TSHRCA12CA1CA2
SCHEMBL28730792 0.82 NR1I2 (0.51) NR1I2TSHRCA12CA1CA2
SCHEMBL38665923 0.81 CA12 (0.52) TSHRCA12CA1CA2CA7
SCHEMBL30849907 0.80 NR1I2 (0.47) NR1I2TSHRCA12CA1CA2
SCHEMBL29048866 0.80 NR1I2 (0.47) NR1I2TSHRCA12CA1CA2
Potassium Ion SCHEMBL10497546 0.78 TSHR (0.53) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107056-B1 Method of processing a silver halide photographic light sensitive material KONISHIROKU PHOTO IND (JP) 2005-05-11 EP disclosed
US-6653060-B2 Triether derivative developer, fixer of thiosulfate salts, water-soluble aluminum salts, and crystallization retarding agents; staining of water washing tank and processing unevenness are minimized using automatic processing machines KONICA CORPORATION (JP) 2003-11-25 US disclosed
US-20010026908-A1 Method of processing silver halide photographic light sensitive material KONICA CORPORATION (JP) 2001-10-04 US disclosed
EP-1107056-A2 Method of processing a silver halide photographic light sensitive material KONICA CORPORATION (JP) 2001-06-13 EP disclosed