SCHEMBL5690756

SCHEMBL5690756

O=C([O-])CN(CCCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]

nearest known ligand 0.60

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
ACE known ✓ P12821 1/20 0.38
CA4 known ✓ P22748 4/20 0.36
CA1 known ✓ P00915 3/20 0.33
CA2 known ✓ P00918 1/20 0.30
CA12 known ✓ O43570 1/20 0.30
KDM4E B2RXH2 2/20 0.60
ALOX15 P16050 2/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 2/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL2331738 0.97 KDM4E (0.62) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL5495954 0.97 KDM4E (0.56) KDM4EALOX15MAPTSMN1; SMN2TDP1
Potassium Ion SCHEMBL9566492 0.95 KDM4E (0.54) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL9566602 0.95 KDM4E (0.54) KDM4EALOX15MAPTSMN1; SMN2TDP1
Water SCHEMBL7566259 0.92 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL9308039 0.92 KDM4E (0.56) KDM4EALOX15MAPTSMN1; SMN2TDP1
Potassium Ion SCHEMBL9336388 0.92 KDM4E (0.56) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL8853297 0.90 KDM4E (0.60) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL7190674 0.89 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL9564091 0.89 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1

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
EP-1341036-B1 Concentrated color developer composition and processing method by use thereof KONICA CORP (JP) 2006-05-03 EP disclosed
EP-1341036-A1 Concentrated color developer composition and processing method by use thereof KONICA CORPORATION (JP) 2003-09-03 EP disclosed
EP-1333322-A2 Concentrated color developer composition used for silver halide photographic material and processing method by use thereof KONICA CORPORATION (JP) 2003-08-06 EP disclosed