SCHEMBL14052073

SCHEMBL14052073

[N-]=[N+]=N[C@]1(c2ccc3c(N)ncnn23)CC[C@@H](COCc2ccccc2)O1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.38
▸ TNK2 Q07912 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ HRH4 Q9H3N8 4/20 0.30
▸ HRH3 Q9Y5N1 4/20 0.30
▸ LMNA P02545 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
SCHEMBL18667233 0.83 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL18666854 0.83 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL12294892 0.83 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL18666910 0.83 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL14052168 0.83 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL14684660 0.82 POLRMT (0.41) POLRMT
SCHEMBL23822848 0.81 TNK2 (0.33) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL12295037 0.81 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL23822912 0.81 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL18666852 0.81 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA

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-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
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