SCHEMBL31346644

SCHEMBL31346644

O=S(=O)([O-])c1cccc2cccc(Cl)c12.[Na+]

nearest known ligand 0.56

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
P2RY4 known ✓ P51582 1/20 0.34
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
DUSP5 Q16690 1/20 0.50
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GHSR Q92847 1/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HSD11B1 P28845 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SLC40A1 Q9NP59 2/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8762730 0.80 MAPT (0.59) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL153141 0.78 MAPT (0.57) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL15461589 0.78 MAPT (0.57) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL583980 0.78 TSHR (0.50) DUSP5MEN1KMT2AALDH1A1TSHR
SCHEMBL1421724 0.77 HSD11B1 (0.48) ALDH1A1TSHRKDM4EHSD17B10HSD11B1
SCHEMBL31134771 0.77 DUSP5 (0.50) DUSP5MEN1KMT2AF2PRSS1
SCHEMBL2984536 0.77 DUSP5 (0.50) DUSP5MEN1KMT2AF2PRSS1
SCHEMBL10354362 0.77 DUSP5 (0.68) DUSP5MEN1KMT2AALDH1A1TSHR
Water SCHEMBL4073018 0.76 DUSP5 (0.66) DUSP5MEN1KMT2AALDH1A1TSHR
SCHEMBL6908682 0.74 HSD11B1 (0.50) ALDH1A1TSHRKDM4EHSD17B10HSD11B1

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
CN-119390038-B Preparation method of manganese titanium sodium phosphate positive electrode material for sodium ion battery and vehicle 浙江华宇钠电新能源科技有限公司 2025-04-15 CN disclosed
CN-119390038-A Preparation method of manganese titanium sodium phosphate positive electrode material for sodium ion battery and vehicle 浙江华宇钠电新能源科技有限公司 2025-02-07 CN disclosed