SCHEMBL29449393

SCHEMBL29449393

Nc1ncnc2c1ncn2C1CC2OP(=O)([O-])OCC2O1.[Na+]

nearest known ligand 0.77

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 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 15/20 0.77
▸ RAPGEF3 O95398 2/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.66
▸ LMNA P02545 2/20 0.53
▸ GMNN O75496 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RAPGEF4 Q8WZA2 1/20 0.53

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
SCHEMBL24354820 0.87 STING1 (1.00) STING1RAPGEF3LMNAGMNNBLM
SCHEMBL29884583 0.87 STING1 (1.00) STING1RAPGEF3LMNAGMNNBLM
SCHEMBL20763201 0.87 STING1 (0.77) STING1
SCHEMBL23477313 0.87 STING1 (1.00) STING1RAPGEF3LMNAGMNNBLM
SCHEMBL22216234 0.87 STING1 (1.00) STING1RAPGEF3LMNAGMNNBLM
SCHEMBL24624852 0.84 STING1 (0.73) STING1RAPGEF3LMNAGMNNBLM
SCHEMBL22571165 0.83 STING1 (0.90) STING1RAPGEF3LMNAGMNNBLM
SCHEMBL24852827 0.82 STING1 (0.69) STING1RXFP1
SCHEMBL23798951 0.82 STING1 (0.89) STING1LMNA
SCHEMBL24453568 0.80 STING1 (0.84) STING1RAPGEF3LMNAGMNNBLM

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
CN-109843903-B Cyclic dinucleotide compounds 勃林格殷格翰国际有限公司 2023-01-24 — — CN claimed
CN-110382515-B Modified cyclic dinucleotide compounds 勃林格殷格翰国际有限公司 2023-03-03 — — CN disclosed
CN-109843903-B Cyclic dinucleotide compounds 勃林格殷格翰国际有限公司 2023-01-24 — — CN disclosed
CN-114306369-A Thiooligonucleotide injection and preparation method thereof 北京悦康科创医药科技股份有限公司 2022-04-12 — — CN disclosed
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