SCHEMBL19401417

SCHEMBL19401417

CCN(c1cc2oc(-c3ccc(F)cc3)c(C=O)c2cc1-c1cccc(C(=O)NC2(c3ncccn3)CC(OC(F)F)C2)c1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 2/20 0.41
KCNH2 Q12809 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL19401391 0.91 CYP2C8 (0.52) CYP2C8KCNH2CYP3A4
SCHEMBL19401367 0.83 CYP2C8 (0.54) CYP2C8KCNH2CYP3A4
SCHEMBL19401468 0.83 CYP2C8 (0.54) CYP2C8KCNH2CYP3A4
SCHEMBL19385790 0.83 CYP2C8 (0.49) CYP2C8KCNH2CYP3A4
SCHEMBL19401451 0.81 CYP2C8 (0.40) CYP2C8KCNH2CYP3A4
SCHEMBL9900182 0.81 CYP2C8 (0.56) CYP2C8KCNH2CYP3A4
SCHEMBL19401453 0.78 CYP2C8 (0.39) CYP2C8KCNH2CYP3A4
SCHEMBL19385939 0.77 CYP2C8 (0.56) CYP2C8KCNH2CYP3A4
SCHEMBL19385706 0.77 CYP2C8 (0.56) CYP2C8KCNH2CYP3A4
SCHEMBL19401372 0.77 CYP2C8 (0.38) CYP2C8KCNH2CYP3A4

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-2017165233-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 WO disclosed