SCHEMBL29396358

SCHEMBL29396358

O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.59

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
ALOX5 known ✓ P09917 1/20 0.49
PDE4A known ✓ P27815 1/20 0.45
PDE4B known ✓ Q07343 1/20 0.45
PDE4D known ✓ Q08499 1/20 0.45
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
HSD17B10 Q99714 1/20 0.58
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
RAD51 Q06609 1/20 0.50
VCAM1 P19320 1/20 0.49
NHERF1 O14745 1/20 0.48
MCL1 Q07820 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL2483870 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL5075923 0.96 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
Potassium Ion SCHEMBL28796297 0.96 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL27803974 0.96 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL7830990 0.86 HSD17B10 (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL10453009 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL10453008 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL2483873 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL29403247 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL452351 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114086160-A Copper surface chemical plating palladium activating solution and application thereof 江苏艾森半导体材料股份有限公司 2022-02-25 CN disclosed