SCHEMBL24258598

SCHEMBL24258598

O=C(OC[C@@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](n2cnc3c(=O)n4cc[nH]c4nc32)O1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 6/20 0.39
▸ RPS6KA3 P51812 6/20 0.39
▸ MAPK14 Q16539 6/20 0.39
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NT5E P21589 1/20 0.34
▸ P2RY11 Q96G91 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RNASE1 P07998 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL24258664 0.84 LMNA (0.42) GSK3ARPS6KA3MAPK14LMNAALDH1A1
SCHEMBL21263936 0.83 LMNA (0.48) GSK3ARPS6KA3MAPK14LMNAPOLB
SCHEMBL22990426 0.79 GSK3A (0.42) GSK3ARPS6KA3MAPK14LMNAPOLB
SCHEMBL5386889 0.74 LMNA (0.56) LMNAALDH1A1NT5ENPC1
SCHEMBL13084457 0.74 LMNA (0.66) GSK3ARPS6KA3MAPK14LMNAP2RY11
SCHEMBL5386883 0.74 LMNA (0.56) LMNAALDH1A1NT5ENPC1
SCHEMBL14075786 0.74 LMNA (0.66) GSK3ARPS6KA3MAPK14LMNAP2RY11
SCHEMBL22992449 0.74 POLB (0.48) POLBMEN1USP2KMT2ANT5E
SCHEMBL23750660 0.73 POLB (0.52) POLBALDH1A1MEN1USP2KMT2A
SCHEMBL20725049 0.73 LMNA (0.47) GSK3ARPS6KA3MAPK14LMNAALDH1A1

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
EP-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
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