SCHEMBL20059072

SCHEMBL20059072

C[C@H]1CC(COC(=O)c2ccccc2)OC1n1cnc2c(Cl)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ STING1 Q86WV6 2/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ GSK3A P49840 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ AHCY P23526 1/20 0.40

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
SCHEMBL14615870 1.00 TYMP (0.50) TYMPLMNASTING1ABCB1GSK3A
SCHEMBL3163915 0.89 LMNA (0.53) TYMPLMNASTING1ABCB1GSK3A
SCHEMBL13970745 0.89 LMNA (0.53) TYMPLMNASTING1ABCB1GSK3A
SCHEMBL3163908 0.89 LMNA (0.53) TYMPLMNASTING1ABCB1GSK3A
SCHEMBL14593730 0.88 LMNA (0.46) TYMPLMNASTING1ABCB1GSK3A
SCHEMBL5389035 0.88 LMNA (0.46) TYMPLMNASTING1ABCB1GSK3A
SCHEMBL5389026 0.88 LMNA (0.46) TYMPLMNASTING1ABCB1GSK3A
SCHEMBL20610917 0.87 NT5E (0.44) LMNANPC1POLB
SCHEMBL24673394 0.85 LMNA (0.46) TYMPLMNASTING1ABCB1GSK3A
SCHEMBL22798386 0.85 LMNA (0.46) TYMPLMNASTING1ABCB1GSK3A

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-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 — — EP disclosed
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