SCHEMBL21244328

SCHEMBL21244328

CCCCCCCSCCCC(=O)OCC#Cc1cc2c(N)ncnc2n1C1OC(COCC)C(O)C1O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENTPD1 P49961 3/20 0.41
▸ HSPA5 P11021 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ NT5E P21589 1/20 0.37

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
SCHEMBL18531148 0.94 ENTPD1 (0.41) ENTPD1HSPA5ADORA3
SCHEMBL14948817 0.89 HSPA5 (0.42) ENTPD1HSPA5ADORA3
SCHEMBL18950207 0.86 HSPA5 (0.43) ENTPD1HSPA5ADORA3
SCHEMBL18852628 0.82 ADK (0.43) HSPA5ADORA3
SCHEMBL15746955 0.80 HSPA5 (0.45) HSPA5ADORA3
SCHEMBL17472296 0.79 HSPA8 (0.45) HSPA5ADORA3
SCHEMBL19007434 0.76 HSPA5 (0.46) HSPA5ADORA3
SCHEMBL22315144 0.73 ADORA3 (0.51) ENTPD1HSPA5ADORA3
SCHEMBL18464494 0.72 ADK (0.51) HSPA5ADORA3
SCHEMBL12369365 0.69 ATG7 (0.36) ADORA3

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-3520821-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF BIOLOGICS AND PROTEINS ASSOCIATED WITH HUMAN DISEASE Moderna Therapeutics, Inc. (US) 2019-08-07 — — EP disclosed
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