SCHEMBL19412679

SCHEMBL19412679

C#C[C@]12O[C@@H](c3ccc4c(N)ncnn34)C[C@@]1(O)C2O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.35
▸ DOT1L Q8TEK3 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
SCHEMBL19412680 0.89 POLRMT (0.35) POLRMTDOT1L
SCHEMBL19412770 0.83 — —
SCHEMBL17106714 0.76 POLRMT (0.35) POLRMTDOT1L
SCHEMBL19101755 0.76 POLRMT (0.38) POLRMT
SCHEMBL17130417 0.75 POLRMT (0.37) POLRMTDOT1L
SCHEMBL17106845 0.75 POLRMT (0.37) POLRMTDOT1L
Phosphoric Acid SCHEMBL17106863 0.72 POLRMT (0.40) POLRMTDOT1L
SCHEMBL19412426 0.72 POLRMT (0.34) POLRMTDOT1L
SCHEMBL23054687 0.71 POLRMT (0.46) POLRMTDOT1L
SCHEMBL29323823 0.71 POLRMT (0.46) POLRMTDOT1L

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-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
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