SCHEMBL28645824

SCHEMBL28645824

Nc1ncc(S(=O)(=O)[O-])cc1Br.[Na+]

nearest known ligand 0.48

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
CA2 known ✓ P00918 6/20 0.40
CA1 known ✓ P00915 5/20 0.40
CA12 known ✓ O43570 1/20 0.40
CA4 known ✓ P22748 1/20 0.40
HTT P42858 3/20 0.48
KMT2A Q03164 1/20 0.48
CA9 Q16790 5/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CA3 P07451 1/20 0.39
FTO Q9C0B1 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1370997 0.79 HTT (0.50) HTTKMT2ACA2CA1CA9
SCHEMBL29267304 0.79 HTT (0.50) HTTKMT2ACA2CA1CA9
SCHEMBL31275351 0.79 HTT (0.50) HTTKMT2ACA2CA1CA9
SCHEMBL29045347 0.78 HTT (0.48) HTTKMT2ACA2CA1CA9
Bromide SCHEMBL7392827 0.78 HTT (0.48) HTTKMT2ACA2CA1CA9
SCHEMBL7392823 0.76 HTT (0.47) HTTKMT2ACA2CA1CA9
SCHEMBL24501924 0.75 HTT (0.46) HTTKMT2ACA2CA1CA9
SCHEMBL3511719 0.74 CA2 (0.64) KMT2ACA2CA1CA9CA12
SCHEMBL31646977 0.71 HTT (0.42) HTTKMT2ACA2CA1CA9
SCHEMBL2225231 0.68 MAP4K4 (0.62) HTTKMT2ACA2CA1CA9

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
CN-113563505-B Temperature-resistant acid-resistant salt-resistant acid thickener and preparation method thereof 山东诺尔生物科技有限公司 2021-12-07 CN claimed
CN-113563505-A Temperature-resistant acid-resistant salt-resistant acid thickener and preparation method thereof 山东诺尔生物科技有限公司 2021-10-29 CN claimed
CN-113563505-B Temperature-resistant acid-resistant salt-resistant acid thickener and preparation method thereof 山东诺尔生物科技有限公司 2021-12-07 CN disclosed
CN-113563505-A Temperature-resistant acid-resistant salt-resistant acid thickener and preparation method thereof 山东诺尔生物科技有限公司 2021-10-29 CN disclosed