SCHEMBL22352198

SCHEMBL22352198

CSP1(=O)OCC2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 12/20 0.84
▸ LMNA P02545 2/20 0.84
▸ KMT2A Q03164 2/20 0.84
▸ RAPGEF3 O95398 2/20 0.84
▸ GMNN O75496 1/20 0.84
▸ BLM P54132 1/20 0.84
▸ NPSR1 Q6W5P4 1/20 0.84
▸ RAPGEF4 Q8WZA2 1/20 0.84
▸ PDE4A P27815 3/20 0.72
▸ PDE4B Q07343 3/20 0.72
▸ PDE4C Q08493 3/20 0.72
▸ PDE4D Q08499 3/20 0.72
▸ MEN1 O00255 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ RXFP1 Q9HBX9 1/20 0.69

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
SCHEMBL10239776 0.96 STING1 (0.76) STING1LMNAKMT2ARAPGEF3GMNN
Cyclic Adenosine Monophosphate SCHEMBL20912149 0.92 STING1 (1.00) STING1LMNAKMT2ARAPGEF3GMNN
SCHEMBL22434642 0.92 STING1 (1.00) STING1LMNAKMT2ARAPGEF3GMNN
Cyclic Adenosine Monophosphate SCHEMBL18716062 0.92 STING1 (1.00) STING1LMNAKMT2ARAPGEF3GMNN
Cyclic Adenosine Monophosphate SCHEMBL23829591 0.92 STING1 (1.00) STING1LMNAKMT2ARAPGEF3GMNN
Cyclic Adenosine Monophosphate SCHEMBL23829820 0.92 STING1 (1.00) STING1LMNAKMT2ARAPGEF3GMNN
Cyclic Adenosine Monophosphate SCHEMBL23829670 0.92 STING1 (1.00) STING1LMNAKMT2ARAPGEF3GMNN
Cyclic Adenosine Monophosphate SCHEMBL23829673 0.92 STING1 (1.00) STING1LMNAKMT2ARAPGEF3GMNN
Cyclic Adenosine Monophosphate SCHEMBL23829653 0.92 STING1 (1.00) STING1LMNAKMT2ARAPGEF3GMNN
Cyclic Adenosine Monophosphate SCHEMBL16446050 0.92 STING1 (1.00) STING1LMNAKMT2ARAPGEF3GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 — — WO disclosed
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