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Chicago Sky Blue

Chicago Sky Blue

SCHEMBL29401288

COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(OC)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Chicago Sky Blue. 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
▸ THRB known ✓ P10828 5/20 1.00
▸ CYP3A4 P08684 4/20 1.00
▸ HPGD P15428 4/20 1.00
▸ MAPK1 P28482 4/20 1.00
▸ RECQL P46063 4/20 1.00
▸ HSD17B10 Q99714 4/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ APEX1 P27695 2/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ CYP2C19 P33261 2/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ USP2 O75604 2/20 1.00
▸ MIF P14174 1/20 1.00
▸ HIF1A Q16665 1/20 1.00
▸ HSPD1 P10809 2/20 0.90
▸ HSPE1 P61604 2/20 0.90
▸ TST Q16762 2/20 0.90

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
Chicago Sky Blue SCHEMBL93506 1.00 THRB (1.00) THRBCYP3A4HPGDMAPK1RECQL
Chicago Sky Blue SCHEMBL30201536 1.00 THRB (1.00) THRBCYP3A4HPGDMAPK1RECQL
Chicago Sky Blue SCHEMBL29358365 1.00 THRB (1.00) THRBCYP3A4HPGDMAPK1RECQL
Chicago Sky Blue SCHEMBL14413257 0.88 MEN1 (1.00) THRBCYP3A4HPGDMAPK1RECQL
Chicago Sky Blue SCHEMBL29415020 0.87 MEN1 (0.98) THRBCYP3A4HPGDMAPK1RECQL
Evans Blue Free Acid SCHEMBL2437648 0.87 ENPP2 (1.00) THRBCYP3A4HPGDMAPK1RECQL
Evans Blue Free Acid SCHEMBL29601874 0.87 ENPP2 (1.00) THRBCYP3A4HPGDMAPK1RECQL
Evans Blue Free Acid SCHEMBL29377040 0.87 ENPP2 (1.00) THRBCYP3A4HPGDMAPK1RECQL
Evans Blue Free Acid SCHEMBL103701 0.87 ENPP2 (1.00) THRBCYP3A4HPGDMAPK1RECQL
Evans Blue Free Acid SCHEMBL29381789 0.87 ENPP2 (1.00) THRBCYP3A4HPGDMAPK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3587464-B1 POLYMERIZABLE COMPOSITION OF OPTICAL MATERIALS, OPTICAL MATERIAL OBTAINED FROM SAID COMPOSITION, AND PLASTIC LENS MITSUI CHEMICALS INC (JP) 2022-08-03 — — EP disclosed
EP-3958047-A1 OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2022-02-23 — — EP disclosed