SCHEMBL6536406

SCHEMBL6536406

O=S(=O)([O-])CCNO.O=S(=O)([O-])CCNO.[Na+].[Na+]

nearest known ligand 0.46

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
BBOX1 O75936 2/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
HBB P68871 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPEP Q07075 2/20 0.33
EPHX2 P34913 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
SCHEMBL29518815 0.77 BBOX1 (0.50) BBOX1KDM4EMAPTALOX15ALDH1A1
SCHEMBL6536405 0.74 BBOX1 (0.48) BBOX1KDM4EMAPTALOX15ALDH1A1
SCHEMBL1066636 0.72
SCHEMBL646481 0.72
SCHEMBL31268422 0.72 BBOX1 (0.52) BBOX1KDM4EMAPTALOX15ALDH1A1
SCHEMBL2692562 0.72 BBOX1 (0.41) BBOX1KDM4EMAPTALOX15ALDH1A1
SCHEMBL214687 0.71 KDM4E (0.62) BBOX1KDM4EMAPTALOX15ALDH1A1
SCHEMBL927005 0.70 KDM4E (0.46) BBOX1KDM4EMAPTALOX15ALDH1A1
Water SCHEMBL31512211 0.69 KDM4E (0.44) BBOX1KDM4EMAPTALOX15ALDH1A1
SCHEMBL28570543 0.69 GMNN (0.43) BBOX1KDM4EMAPTALOX15ALDH1A1

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-1377877-A4 STABILIZED CD-4 ONE-PART FILM DEVELOPER CONCENTRATES TREBLA CHEMICAL COMPANY (US) 2004-12-15 EP disclosed
EP-1377877-A1 STABILIZED CD-4 ONE-PART FILM DEVELOPER CONCENTRATES Trebla Chemical Company (US) 2004-01-07 EP disclosed
WO-2003003116-A1 STABILIZED CD-4 ONE-PART FILM DEVELOPER CONCENTRATES TREBLA CHEMICAL COMPANY (US) 2003-01-09 WO disclosed
US-20020150845-A1 Stabilized CD-4 one-part film developer concentrates TREBLA CHEMICAL COMPANY 2002-10-17 US disclosed