SCHEMBL28709583

SCHEMBL28709583

O=S(=O)([O-])c1cc[c]cc1.[Na+]

nearest known ligand 0.43

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 18)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ DUSP5 Q16690 4/20 0.35
▸ PTPN1 P18031 3/20 0.35
▸ DUSP6 Q16828 1/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ PLCG1 P19174 1/20 0.33
▸ PKLR P30613 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL19953365 0.83 LMNA (0.55) TDP1LMNADUSP5PTPN1DUSP6
SCHEMBL28934944 0.76 LMNA (0.48) TDP1LMNADUSP5PTPN1DUSP6
Potassium Ion SCHEMBL1538011 0.76 LMNA (0.48) TDP1LMNADUSP5PTPN1DUSP6
Water SCHEMBL2863467 0.76 HTR6 (0.52) TDP1LMNAPOLBKMT2AAPOBEC3A
Water SCHEMBL6448903 0.76 HTR6 (0.52) TDP1LMNAPOLBKMT2AAPOBEC3A
SCHEMBL3171668 0.75 CA12 (0.52) TDP1LMNADUSP5PTPN1DUSP6
SCHEMBL818508 0.75 HTR6 (0.50) LMNAPOLBKMT2AMEN1MAPT
SCHEMBL5846996 0.75 CA12 (0.52) TDP1LMNADUSP5PTPN1DUSP6
Water SCHEMBL30745859 0.74 CA2 (0.54) TDP1LMNAPLCG1MAPK1
Water SCHEMBL2045997 0.74 TSHR (0.59) TDP1LMNAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213217-A Production method and application of p-phenylphenol 合肥欧腾测控技术有限公司 2022-03-22 — — CN claimed
CN-114213217-A Production method and application of p-phenylphenol 合肥欧腾测控技术有限公司 2022-03-22 — — CN disclosed
CN-114213217-A Production method and application of p-phenylphenol 合肥欧腾测控技术有限公司 2022-03-22 — — CN disclosed
Send feedback