SCHEMBL17866569

SCHEMBL17866569

O=C([O-])c1cc(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)c(C(=O)[O-])c4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)ccc1O.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.48

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
PTGS1 known ✓ P23219 4/20 0.48
PTGS2 known ✓ P35354 3/20 0.48
PDE4A known ✓ P27815 1/20 0.47
THRB known ✓ P10828 2/20 0.43
CA1 known ✓ P00915 1/20 0.37
CA2 known ✓ P00918 1/20 0.37
ALDH1A1 P00352 4/20 0.48
PHLPP2 Q6ZVD8 4/20 0.48
CYP2C9 P11712 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
BLVRB P30043 2/20 0.47
KDR P35968 1/20 0.47
HTT P42858 1/20 0.47
GLO1 Q04760 2/20 0.47
PLCG1 P19174 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
APP P05067 2/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL19125153 0.89 PHLPP2 (0.48) ALDH1A1PHLPP2PTGS1PTGS2CYP2C9
SCHEMBL19125147 0.89 PHLPP2 (0.48) ALDH1A1PHLPP2PTGS1PTGS2CYP2C9
SCHEMBL135508 0.84 PLCG1 (0.61) ALDH1A1PHLPP2PTGS1PTGS2CYP2C9
SCHEMBL428681 0.84 PLCG1 (0.61) ALDH1A1PHLPP2PTGS1PTGS2CYP2C9
Olsalazine SCHEMBL29454399 0.83 MEN1 (0.66) ALDH1A1PHLPP2PTGS1PTGS2CYP2C9
Olsalazine SCHEMBL29767 0.83 MEN1 (0.66) ALDH1A1PHLPP2PTGS1PTGS2CYP2C9
Olsalazine SCHEMBL3476110 0.83 MEN1 (0.66) ALDH1A1PHLPP2PTGS1PTGS2CYP2C9
SCHEMBL10784910 0.79 MEN1 (0.59) ALDH1A1PHLPP2PTGS1PTGS2CYP2C9
SCHEMBL27727543 0.78 PHLPP2 (0.60) ALDH1A1PHLPP2PTGS1PTGS2CYP2C9
Chrysamine G SCHEMBL15818024 0.77 TDP1 (0.70) ALDH1A1PHLPP2PTGS1PTGS2CYP2C9

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
US-20160187730-A1 Polymer Film With Geometrically Anisotropic Nanostructures THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-06-30 US claimed
US-10948774-B2 Photoaligned quantum rod enhancement films THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-03-16 US disclosed
US-20190129252-A1 PHOTOALIGNED QUANTUM ROD ENHANCEMENT FILMS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-05-02 US disclosed
US-20170205669-A1 IMAGE DISPLAY DEVICE AND ORIENTED MATERIAL USED IN SAME DIC CORPORATION (JP) 2017-07-20 US disclosed
US-20160187730-A1 Polymer Film With Geometrically Anisotropic Nanostructures THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-06-30 US disclosed