SCHEMBL4771469

SCHEMBL4771469

COCCOc1cc(C2CC2)c2c(C#N)c(-c3ccc(N)cc3)[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.33
MAPT P10636 1/20 0.32
SQOR Q9Y6N5 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
RET P07949 1/20 0.30
HDAC2 Q92769 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL4779519 0.89 TLR9 (0.32) TLR9
SCHEMBL4777353 0.88 MAOA (0.37) TLR9MAPTSQORMEN1USP2
SCHEMBL4775583 0.85 PDE10A (0.35) MAPTMEN1KMT2A
SCHEMBL4778609 0.78 IKBKB (0.33) MAPTMEN1KMT2A
SCHEMBL4779526 0.77
SCHEMBL4780752 0.69 NPC1 (0.44) MAPT
SCHEMBL10097345 0.68 MAOA (0.50) MAPTMEN1USP2KMT2A
SCHEMBL2884180 0.63 CYP11B2 (0.37) MAPTMEN1KMT2A
SCHEMBL2881706 0.62 HRH3 (0.36) MAPTMEN1KMT2A
SCHEMBL4779864 0.60 NOX1 (0.41) MAPTMEN1KMT2A

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