SCHEMBL20054450

SCHEMBL20054450

CC(C)(C)C(N)c1ncc(C#Cc2ccc3cc(-c4cnc(C(N)C(C)(C)C)[nH]4)ccc3c2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 2/20 0.39
SCN10A Q9Y5Y9 5/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC3 O15379 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
SCHEMBL19388545 1.00 NLN (0.39) NLNSCN10AHDAC1HDAC3
SCHEMBL15116770 1.00 NLN (0.39) NLNSCN10AHDAC1HDAC3
SCHEMBL20054443 0.91 SNCA (0.31)
SCHEMBL15116620 0.91 SNCA (0.31)
SCHEMBL19388740 0.91 SNCA (0.31)
SCHEMBL15116841 0.83 NLN (0.46) NLNSCN10AHDAC1HDAC3
SCHEMBL19388595 0.83 NLN (0.46) NLNSCN10AHDAC1HDAC3
SCHEMBL20054470 0.83 NLN (0.46) NLNSCN10AHDAC1HDAC3
SCHEMBL19414850 0.82 NLN (0.46) NLNSCN10A
SCHEMBL1315025 0.82 NLN (0.46) NLNSCN10A

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
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed