SCHEMBL15859262

SCHEMBL15859262

Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[Na+]

nearest known ligand 0.55

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
▸ TLR9 known ✓ Q9NR96 1/20 0.41
▸ P2RY6 known ✓ Q15077 1/20 0.40
▸ THRB known ✓ P10828 1/20 0.40
▸ NT5E P21589 2/20 0.55
▸ RAD51 Q06609 1/20 0.51
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SENP3 Q9H4L4 4/20 0.40
▸ SENP2 Q9HC62 4/20 0.40
▸ SENP1 Q9P0U3 4/20 0.40
▸ SENP7 Q9BQF6 4/20 0.40
▸ SUMO2 P61956 3/20 0.40
▸ SUMO1 P63165 3/20 0.40
▸ RAD1 O60671 1/20 0.40

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
SCHEMBL1536243 0.99 NT5E (0.56) NT5ERAD51MEN1KMT2AALDH1A1
SCHEMBL29692725 0.99 NT5E (0.56) NT5ERAD51MEN1KMT2AALDH1A1
SCHEMBL1536241 0.99 NT5E (0.56) NT5ERAD51MEN1KMT2AALDH1A1
SCHEMBL6050413 0.97 NT5E (0.55) NT5ERAD51MEN1KMT2AALDH1A1
SCHEMBL2391190 0.97 NT5E (0.55) NT5ERAD51MEN1KMT2AALDH1A1
SCHEMBL7555155 0.97 NT5E (0.55) NT5ERAD51MEN1KMT2AALDH1A1
SCHEMBL30390242 0.97 NT5E (0.55) NT5ERAD51MEN1KMT2AALDH1A1
SCHEMBL2391199 0.97 NT5E (0.55) NT5ERAD51MEN1KMT2AALDH1A1
SCHEMBL6050520 0.97 NT5E (0.55) NT5ERAD51MEN1KMT2AALDH1A1
SCHEMBL26114158 0.97 NT5E (0.55) NT5ERAD51MEN1KMT2AALDH1A1

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-2752692-B1 POLARIZER AND POLARIZING PLATE NIPPON KAYAKU KK (JP) 2017-10-18 — — EP disclosed
US-20140218628-A1 Polarizer And Polarizing Plate POLATECHNO CO., LTD. (JP) 2014-08-07 — — US disclosed
EP-2752692-A1 POLARIZER AND POLARIZING PLATE Nippon Kayaku Kabushiki Kaisha (JP) 2014-07-09 — — EP disclosed
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