SCHEMBL29413352

SCHEMBL29413352

CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)c3cc(C)c(=[N+](CC)CC)cc-3oc2c1.[Na+]

nearest known ligand 0.61

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
▸ PPARG known ✓ P37231 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ NCOR2 Q9Y618 1/20 0.61
▸ CHRM1 P11229 2/20 0.47
▸ SLC6A4 P31645 8/20 0.38
▸ SLC6A2 P23975 4/20 0.38
▸ SLC6A3 Q01959 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ IGLV6-57 P01721 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 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
SCHEMBL29569925 0.87 MEN1 (0.79) MEN1USP2POLBPPARGBLM
SCHEMBL5712581 0.86 MEN1 (0.77) MEN1USP2POLBPPARGBLM
Water SCHEMBL185914 0.85 MEN1 (0.76) MEN1USP2POLBPPARGBLM
SCHEMBL17267894 0.85 MEN1 (0.76) MEN1USP2POLBPPARGBLM
Water SCHEMBL7715723 0.84 MEN1 (0.75) MEN1USP2POLBPPARGBLM
SCHEMBL17265451 0.82 MEN1 (0.66) MEN1USP2POLBPPARGBLM
SCHEMBL14338738 0.81 MEN1 (0.57) MEN1USP2POLBPPARGBLM
SCHEMBL19661354 0.81 MEN1 (0.75) MEN1USP2POLBPPARGBLM
SCHEMBL31011004 0.81 MEN1 (0.87) MEN1USP2POLBPPARGBLM
SCHEMBL29352150 0.81 MEN1 (0.87) MEN1USP2POLBPPARGBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118817646-A Novel probes targeted to bind elastin and biomedical applications thereof 中国科学院基础医学与肿瘤研究所(筹) 2024-10-22 — — CN disclosed
WO-2022138576-A1 PHOTOSENSITIVE TRANSFER MATERIAL, METHOD FOR PRODUCING RESIN PATTERN, METHOD FOR PRODUCING CIRCUIT WIRING LINE, METHOD FOR PRODUCING ELECTRONIC DEVICE, AND METHOD FOR PRODUCING MULTILAYER BODY 富士フイルム株式会社 2022-06-30 — — WO disclosed
WO-2022138577-A1 PHOTOSENSITIVE TRANSFER MATERIAL, RESIN PATTERN MANUFACTURING METHOD, LAMINATE MANUFACTURING METHOD, CIRCUIT WIRING MANUFACTURING METHOD, AND ELECTRONIC DEVICE MANUFACTURING METHOD 富士フイルム株式会社 2022-06-30 — — WO disclosed
WO-2022138468-A1 TRANSFER MATERIAL AND METHOD FOR PRODUCING LAMINATED BODY 富士フイルム株式会社 2022-06-30 — — WO disclosed
WO-2022138246-A1 TRANSFER MATERIAL AND METHOD FOR MANUFACTURING LAMINATE 富士フイルム株式会社 2022-06-30 — — WO disclosed
WO-2022138578-A1 PHOTOSENSITIVE TRANSFER MATERIAL, METHOD FOR MANUFACTURING RESIN PATTERN, METHOD FOR MANUFACTURING LAMINATE, METHOD FOR MANUFACTURING CIRCUIT WIRING, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE 富士フイルム株式会社 2022-06-30 — — WO disclosed
WO-2022059418-A1 PHOTOSENSITIVE TRANSFER MATERIAL, METHOD FOR PRODUCING RESIN PATTERN, METHOD FOR PRODUCING CIRCUIT WIRING, AND METHOD FOR PRODUCING TOUCH PANEL 富士フイルム株式会社 2022-03-24 — — WO disclosed
WO-2022059417-A1 PHOTOSENSITIVE TRANSFER MATERIAL, METHOD FOR PRODUCING RESIN PATTERN, METHOD FOR PRODUCING CIRCUIT WIRING, AND METHOD FOR PRODUCING TOUCH PANEL 富士フイルム株式会社 2022-03-24 — — WO disclosed
WO-2022054599-A1 PHOTOSENSITIVE TRANSFER MATERIAL, METHOD FOR PRODUCING RESIN PATTERN, ETCHING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE 富士フイルム株式会社 2022-03-17 — — WO disclosed
WO-2022044831-A1 PHOTOSENSITIVE TRANSFER MATERIAL, METHOD FOR PRODUCING RESIN PATTERN, METHOD FOR PRODUCING CIRCUIT WIRING, AND METHOD FOR PRODUCING TOUCH PANEL 富士フイルム株式会社 2022-03-03 — — WO disclosed
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