SCHEMBL20487160

SCHEMBL20487160

O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2CCCS(=O)(=O)[O-].[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 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ POLB P06746 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SCARB1 Q8WTV0 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ F2R P25116 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ F2RL3 Q96RI0 1/20 0.38
▸ NOX4 Q9NPH5 1/20 0.38

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
SCHEMBL28922224 0.85 MAPT (0.56) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL30014239 0.85 MAPT (0.56) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL30013278 0.78 SIGMAR1 (0.47) MAPTSIGMAR1MEN1KMT2ALMNA
SCHEMBL20486333 0.78 SIGMAR1 (0.47) MAPTSIGMAR1MEN1KMT2ALMNA
SCHEMBL3039635 0.77 MAPT (0.59) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL30013273 0.76 MAPT (0.66) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL12608627 0.76 MAPT (0.56) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL12608625 0.76 MAPT (0.56) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL12608628 0.75 SIGMAR1 (0.60) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL11413547 0.74 MAPT (0.75) MAPTPOLBATMSIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573240-B Selectively permeable graphene oxide membranes 日东电工株式会社 2022-11-22 — — CN disclosed
EP-3589390-B1 SELECTIVELY PERMEABLE GRAPHENE OXIDE MEMBRANE NITTO DENKO CORP (JP) 2022-08-17 — — EP disclosed
US-20200261861-A1 SELECTIVELY PERMEABLE GRAPHENE OXIDE MEMBRANE NITTO DENKO CORPORATION (JP) 2020-08-20 — — US disclosed
CN-110573240-A selectively permeable graphene oxide membranes 日东电工株式会社 2019-12-13 — — CN disclosed
WO-2018160871-A2 SELECTIVELY PERMEABLE GRAPHENE OXIDE MEMBRANE NITTO DENKO CORPORATION (JP) 2018-09-07 — — WO disclosed
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