SCHEMBL29617556

SCHEMBL29617556

Cc1ccc(N=Nc2c([O-])c(S(=O)(=O)O)cc3cc(S(=O)(=O)[O-])ccc23)c(C)c1.[Na+].[Na+]

nearest known ligand 0.69

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
▸ THRB known ✓ P10828 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.69
▸ HIF1A Q16665 3/20 0.69
▸ SUMO2 P61956 1/20 0.52
▸ SUMO1 P63165 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP3 Q9H4L4 1/20 0.52
▸ SENP2 Q9HC62 1/20 0.52
▸ SENP1 Q9P0U3 1/20 0.52
▸ ENPP2 Q13822 6/20 0.51
▸ PTPN1 P18031 3/20 0.48
▸ USP2 O75604 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL6846278 0.85 ALDH1A1 (0.74) ALDH1A1HIF1ASUMO2SUMO1SENP7
SCHEMBL29350187 0.85 ALDH1A1 (0.74) ALDH1A1HIF1ASUMO2SUMO1SENP7
SCHEMBL29399244 0.83 ALDH1A1 (0.65) ALDH1A1HIF1ASUMO2SUMO1SENP7
SCHEMBL6846279 0.81 HIF1A (1.00) ALDH1A1HIF1ASUMO2SUMO1SENP7
SCHEMBL8816124 0.81 HIF1A (1.00) ALDH1A1HIF1ASUMO2SUMO1SENP7
SCHEMBL4068193 0.81 HIF1A (1.00) ALDH1A1HIF1ASUMO2SUMO1SENP7
SCHEMBL10622991 0.81 HIF1A (0.98) ALDH1A1HIF1ASUMO2SUMO1SENP7
SCHEMBL8947349 0.78 ALDH1A1 (0.87) ALDH1A1HIF1ASUMO2SUMO1SENP7
SCHEMBL133302 0.78 ALDH1A1 (0.65) ALDH1A1HIF1ASUMO2SUMO1SENP7
SCHEMBL15424240 0.77 HIF1A (0.76) ALDH1A1HIF1ASUMO2SUMO1SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024187194-A2 PHOTOCLICK CHEMISTRY OF SILK FOR TEMPORARY UV TATTOOS TRUSTEES OF TUFTS COLLEGE (US) 2024-09-12 — — WO disclosed
WO-2024097977-A1 SILK NANOPARTICLE SYNTHESIS: TUNING SIZE, DISPERSITY, AND SURFACE CHEMISTRY FOR DRUG DELIVERY TRUSTEES OF TUFTS COLLEGE (US) 2024-05-10 — — WO disclosed
WO-2024014508-A1 MARKER COMPOSITION FOR SKIN, AND APPLICATION TOOL FOR SAME 三菱鉛筆株式会社 2024-01-18 — — WO disclosed
WO-2022091971-A1 MARKER COMPOSITION FOR SKIN 三菱鉛筆株式会社 2022-05-05 — — WO disclosed
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