SCHEMBL30763643

SCHEMBL30763643

Nc1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5cc(S(=O)(=O)O)ccc5S(=O)(=O)O)c(N)c4c3O)c2)n1.[Na+].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.58

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 1/20 0.39
▸ FUT8 Q9BYC5 1/20 0.58
▸ PRMT1 Q99873 2/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ ENPP2 Q13822 6/20 0.42
▸ CARM1 Q86X55 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DNASE1L3 Q13609 1/20 0.40
▸ CHAT P28329 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ ENPP3 O14638 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GRK2 P25098 1/20 0.38
▸ PLEC Q15149 1/20 0.38

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
SCHEMBL14959362 0.99 FUT8 (0.59) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL12172962 0.99 FUT8 (0.59) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL4162607 0.95 FUT8 (0.61) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL14080045 0.95 FUT8 (0.61) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL4162603 0.95 FUT8 (0.61) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL20685317 0.94 FUT8 (0.60) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL22768258 0.93 FUT8 (0.64) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL16330373 0.93 FUT8 (0.53) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL21878547 0.92 FUT8 (0.51) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL20685319 0.92 FUT8 (0.57) FUT8PRMT1CYP1A2ENPP2CARM1

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
US-20250290249-A1 DIRECT TO FILM TRANSFER PROCESS FOR INKJET INKS ON SUBSTRATES USING PIGMENTED POLYMER POWDERS Prism Inks, Inc. (US) 2025-09-18 — — US disclosed
EP-4617076-A1 DIRECT TO FILM TRANSFER PROCESS FOR INKJET INKS ON SUBSTRATES USING PIGMENTED POLYMER POWDERS Prism Inks, Inc. (US) 2025-09-17 — — EP disclosed
EP-4306600-A1 REACTIVE DYE COMPOSITION AND APPLICATION THEREOF Everlight Chemical Industrial Corporation (TW) 2024-01-17 — — EP disclosed
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