SCHEMBL17522848

SCHEMBL17522848

CC1(C)OB(c2ccc3c(c2)-c2cc4ccccc4n2CO3)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.40
LIPG Q9Y5X9 7/20 0.40
IRAK4 Q9NWZ3 1/20 0.35
ROCK1 Q13464 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL14765182 0.89 LPL (0.39) LPLLIPGIRAK4ROCK1PRMT5
SCHEMBL14764793 0.83 ROCK1 (0.36) LPLLIPGROCK1
SCHEMBL14765057 0.76 LPL (0.31) LPLLIPG
SCHEMBL34463705 0.75 KMT2A (0.38)
SCHEMBL17522841 0.75 PIK3CA (0.41)
SCHEMBL30219059 0.67 LPL (0.40) LPLLIPGIRAK4ROCK1CA1
SCHEMBL21913269 0.67 ROCK1 (0.35) LPLLIPGIRAK4ROCK1PRMT5
SCHEMBL23986897 0.66 LPL (0.39) LPLLIPGROCK1PRMT5WDR77
SCHEMBL16581306 0.66 LPL (0.56) LPLLIPGIRAK4ROCK1PRMT5
SCHEMBL29392121 0.66 LPL (0.75) LPLLIPGIRAK4ROCK1CA1

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-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed