SCHEMBL20486333

SCHEMBL20486333

Nc1ccc2c(c1)c1cc(N)ccc1n2CCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.47

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
▸ SIGMAR1 Q99720 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HBB P68871 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GMNN O75496 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXRA P19793 1/20 0.34

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
SCHEMBL30013278 1.00 SIGMAR1 (0.47) SIGMAR1ALDH1A1MAPTMAPK1HBB
SCHEMBL20486800 0.83 SIGMAR1 (0.45) SIGMAR1ALDH1A1MAPTMAPK1HBB
SCHEMBL28338514 0.82 SIGMAR1 (0.44) SIGMAR1ALDH1A1MAPTMAPK1HBB
SCHEMBL20487160 0.78 MAPT (0.54) SIGMAR1MAPTTDP1MEN1KMT2A
SCHEMBL29411056 0.74 ALDH1A1 (0.57) SIGMAR1ALDH1A1MAPTMAPK1HBB
SCHEMBL19974241 0.74 ALDH1A1 (0.57) SIGMAR1ALDH1A1MAPTMAPK1HBB
SCHEMBL30884614 0.71 KDM4E (0.54) SIGMAR1ALDH1A1MAPTMAPK1HBB
SCHEMBL29208327 0.71 KDM4E (0.54) SIGMAR1ALDH1A1MAPTMAPK1HBB
SCHEMBL29411029 0.70 KDM4E (0.61) SIGMAR1ALDH1A1MAPTMAPK1HBB
SCHEMBL28326868 0.70 KDM4E (0.61) SIGMAR1ALDH1A1MAPTMAPK1HBB

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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