SCHEMBL11044743

SCHEMBL11044743

O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1Nc1ccccc1.[Na+]

nearest known ligand 0.74

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 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
TDP1 Q9NUW8 2/20 0.74
POLB P06746 2/20 0.74
WNK1 Q9H4A3 1/20 0.69
L3MBTL1 Q9Y468 3/20 0.62
ALDH1A1 P00352 4/20 0.59
HCAR3 P49019 1/20 0.59
MAPK1 P28482 1/20 0.59
CASP7 P55210 1/20 0.59
ALDH3A1 P30838 7/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.48
EPAS1 Q99814 1/20 0.48
DOT1L Q8TEK3 1/20 0.48
MYC P01106 1/20 0.48
IDO1 P14902 1/20 0.48
GFER P55789 1/20 0.48

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
SCHEMBL9817053 0.85 MAPT (0.74) MAPTTDP1POLBWNK1L3MBTL1
SCHEMBL9817060 0.85 MAPT (0.74) MAPTTDP1POLBWNK1L3MBTL1
SCHEMBL29699504 0.85 MAPT (1.00) MAPTTDP1POLBWNK1L3MBTL1
SCHEMBL9487112 0.85 MAPT (1.00) MAPTTDP1POLBWNK1L3MBTL1
SCHEMBL29465202 0.85 MAPT (0.62) MAPTTDP1POLBWNK1L3MBTL1
SCHEMBL7115658 0.84 MAPT (0.72) MAPTTDP1POLBWNK1L3MBTL1
SCHEMBL29363201 0.84 MAPT (0.72) MAPTTDP1POLBWNK1L3MBTL1
SCHEMBL16188270 0.83 ALDH3A1 (0.76) MAPTTDP1POLBWNK1L3MBTL1
SCHEMBL10720624 0.82 MAPT (0.54) MAPTTDP1POLBWNK1L3MBTL1
SCHEMBL10723977 0.81 MAPT (0.68) MAPTTDP1POLBWNK1L3MBTL1

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
US-4474867-A SILVER HALIDE EMULSION, ORAGNIC SILVER SALT OXIDIZER, REDUCING AGENT, ADYE-RELEASING COUPLER AND POLYMERIC BINDER;STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1984-10-02 US disclosed