SCHEMBL20058766

SCHEMBL20058766

CC1CC(CO)OC1c1ccc2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 5/20 0.37
▸ POLRMT O00411 1/20 0.36
▸ MAP4K4 O95819 1/20 0.34
▸ ACVRL1 P37023 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33
▸ SRC P12931 4/20 0.30
▸ RIPK1 Q13546 1/20 0.30
▸ TNK2 Q07912 1/20 0.30

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
SCHEMBL13532219 1.00 DOT1L (0.37) DOT1LPOLRMTMAP4K4ACVRL1STING1
SCHEMBL13696066 1.00 DOT1L (0.37) DOT1LPOLRMTMAP4K4ACVRL1STING1
SCHEMBL14642742 0.87 POLRMT (0.39) DOT1LPOLRMTMAP4K4ACVRL1STING1
SCHEMBL10154352 0.87 POLRMT (0.39) DOT1LPOLRMTMAP4K4ACVRL1STING1
SCHEMBL21120506 0.87 POLRMT (0.39) DOT1LPOLRMTMAP4K4ACVRL1STING1
SCHEMBL12388340 0.83 EGFR (0.31) —
SCHEMBL25915354 0.82 DOT1L (0.36) DOT1LPOLRMTSTING1RIPK1
SCHEMBL24791068 0.82 POLRMT (0.35) DOT1LPOLRMTSTING1RIPK1
SCHEMBL14642541 0.81 — —
SCHEMBL9912317 0.81 DOT1L (0.35) DOT1LPOLRMT

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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