SCHEMBL3720041

SCHEMBL3720041

CC(N)c1ccc2nc(Oc3ccc(C#N)cc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
SCN7A Q01118 6/20 0.47
KCNH2 Q12809 4/20 0.45
SCN9A Q15858 13/20 0.45

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
SCHEMBL3720364 0.84 NCF1 (0.38) MAP4K4
SCHEMBL3717959 0.83 MAP4K4 (0.32) MAP4K4SCN7ASCN9A
SCHEMBL3804254 0.82 TLR8 (0.39) MAP4K4SCN7AKCNH2SCN9A
SCHEMBL3720908 0.81 ACACB (0.43)
SCHEMBL3727681 0.81 SCN9A (0.52) SCN7AKCNH2SCN9A
SCHEMBL3722382 0.80 ALOX5 (0.35) MAP4K4SCN7ASCN9A
SCHEMBL3726203 0.79 PDE4B (0.41) MAP4K4
SCHEMBL3728069 0.79 ALOX5 (0.39) SCN9A
SCHEMBL3719854 0.78 FGFR2 (0.37) MAP4K4SCN9A
SCHEMBL3717678 0.76 HTT (0.50)

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed