SCHEMBL20908775

SCHEMBL20908775

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)n4cc[nH]c4nc32)C[C@@H]1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ P2RY1 P47900 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ TYMP P19971 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33

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 0.85 LMNA (0.42) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL21263942 0.83 ALDH1A1 (0.62) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL22300011 0.81 LMNA (0.48) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL17001491 0.79 POLB (0.54) ALDH1A1KDM4EPOLB
SCHEMBL2775081 0.79 POLB (0.54) ALDH1A1KDM4EPOLB
SCHEMBL23352540 0.79 POLB (0.54) ALDH1A1KDM4EPOLB
SCHEMBL18769456 0.79 POLB (0.54) ALDH1A1KDM4EPOLB
SCHEMBL3893075 0.79 POLB (0.54) ALDH1A1KDM4EPOLB
SCHEMBL3949956 0.78 LMNA (0.67) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL17703982 0.78 LMNA (0.67) ALDH1A1LMNATP53MAPTTDP1

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-2019074887-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 — — WO disclosed
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