SCHEMBL3527644

SCHEMBL3527644

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(CC(F)(F)F)C(O)C2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 15/20 0.47
POU2F2 P09086 2/20 0.47
CYP3A4 P08684 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL3524900 0.93 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2185540 0.91 SLC22A2 (0.50) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3522687 0.90 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2186514 0.89 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3529420 0.88 SLC22A2 (0.46) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2187053 0.88 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2237486 0.87 SLC22A2 (0.45) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2242270 0.87 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3523844 0.86 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3528399 0.86 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2

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-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed