SCHEMBL18950207

SCHEMBL18950207

CCCOCC1OC(n2c(C#CCOC(=O)CCCS)cc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 3/20 0.43
▸ ADORA3 P0DMS8 1/20 0.40
▸ ENTPD1 P49961 1/20 0.39
▸ ATG7 O95352 2/20 0.38

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
SCHEMBL14948817 0.95 HSPA5 (0.42) HSPA5ADORA3ENTPD1ATG7
SCHEMBL18852628 0.92 ADK (0.43) HSPA5ADORA3ATG7
SCHEMBL17472296 0.89 HSPA8 (0.45) HSPA5ADORA3
SCHEMBL21244328 0.86 ENTPD1 (0.41) HSPA5ADORA3ENTPD1
SCHEMBL19007434 0.85 HSPA5 (0.46) HSPA5ADORA3ATG7
SCHEMBL18531148 0.83 ENTPD1 (0.41) HSPA5ADORA3ENTPD1
SCHEMBL15746955 0.79 HSPA5 (0.45) HSPA5ADORA3ATG7
SCHEMBL12369365 0.78 ATG7 (0.36) ADORA3ATG7
SCHEMBL18464494 0.75 ADK (0.51) HSPA5ADORA3ATG7
SCHEMBL22315144 0.74 ADORA3 (0.51) HSPA5ADORA3ENTPD1

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
US-9675668-B2 Modified polynucleotides encoding hepatitis A virus cellular receptor 2 MODERNA THERAPEUTICS, INC. (US) 2017-06-13 — — US disclosed
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