SCHEMBL4779519

SCHEMBL4779519

COCCOc1cc(C2CC2)c2c(C#N)c(-c3cc[c]cc3)[nH]c2c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL4771469 0.89 TLR9 (0.33) TLR9
SCHEMBL4777353 0.76 MAOA (0.37) TLR9
SCHEMBL4775583 0.74 PDE10A (0.35)
SCHEMBL4780752 0.67 NPC1 (0.44)
SCHEMBL4779526 0.66
SCHEMBL4778609 0.66 IKBKB (0.33)
SCHEMBL4771985 0.63 CYP11B2 (0.38)
SCHEMBL7425025 0.61 CYP3A4 (0.42)
SCHEMBL11339067 0.60 CYP19A1 (0.53)
SCHEMBL483029 0.60 KDM4E (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed