SCHEMBL29623460

SCHEMBL29623460

Nc1ccc(N=Nc2c(N)ccc3cc(S(=O)(=O)[O-])cc(O)c23)c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 2/20 0.40
▸ APEX1 P27695 2/20 1.00
▸ ENPP2 Q13822 2/20 0.53
▸ PTPN1 P18031 6/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GRK2 P25098 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PLEC Q15149 1/20 0.48
▸ DUSP5 Q16690 2/20 0.48
▸ APP P05067 1/20 0.47
▸ SUMO2 P61956 2/20 0.47
▸ SUMO1 P63165 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ SENP2 Q9HC62 2/20 0.47
▸ CYP1A2 P05177 1/20 0.41
▸ ALDH1A1 P00352 2/20 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
SCHEMBL11670477 1.00 APEX1 (1.00) APEX1ENPP2PTPN1USP2ATM
SCHEMBL29378215 0.88 APEX1 (1.00) APEX1ENPP2PTPN1USP2ATM
SCHEMBL11670702 0.86 APEX1 (0.75) APEX1ENPP2PTPN1USP2ATM
SCHEMBL11584418 0.86 APEX1 (0.75) APEX1ENPP2PTPN1USP2ATM
SCHEMBL11670482 0.84 APEX1 (0.73) APEX1ENPP2MEN1KMT2ASUMO2
SCHEMBL6346835 0.84 APEX1 (0.73) APEX1ENPP2MEN1KMT2ASUMO2
SCHEMBL11670965 0.84 APEX1 (0.73) APEX1ENPP2MEN1KMT2ASUMO2
SCHEMBL29366403 0.84 APEX1 (0.72) APEX1ENPP2PTPN1USP2ATM
SCHEMBL11670471 0.83 APEX1 (0.72) APEX1ENPP2MEN1KMT2ASUMO2
SCHEMBL29533645 0.82 APEX1 (0.70) APEX1ENPP2PTPN1USP2ATM

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
CN-119951424-A S-triazinyl modified silicon oxide microsphere and preparation method and application thereof 甬江实验室 2025-05-09 — — CN disclosed
CN-114449997-A Involving the use of C1-C6Process for colouring keratin materials with an organoalkoxysilane and an acidifying agent 汉高股份有限及两合公司 2022-05-06 — — CN disclosed
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