SCHEMBL18667233

SCHEMBL18667233

Nc1ncnn2c([C@@]3(O)CC[C@@H](COCc4ccccc4)O3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 5/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ HSPA5 P11021 1/20 0.33
▸ HRH4 Q9H3N8 4/20 0.32
▸ HRH3 Q9Y5N1 4/20 0.32
▸ LMNA P02545 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ AXL P30530 1/20 0.31
▸ MERTK Q12866 1/20 0.31

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
SCHEMBL12294892 1.00 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL18666910 1.00 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL12836635 0.89 HRH4 (0.34) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL14052168 0.87 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL18666854 0.87 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL19343808 0.86 HRH4 (0.31) TNK2HRH4HRH3LMNA
SCHEMBL19343805 0.86 HRH4 (0.31) TNK2HRH4HRH3LMNA
SCHEMBL23822848 0.84 TNK2 (0.33) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL23822912 0.84 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL12295037 0.84 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3

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
WO-2017049060-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2017-03-23 — — WO disclosed
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