SCHEMBL20054470

SCHEMBL20054470

CC(C)(C)C(N)c1ncc(-c2ccc3cc4cc(-c5cnc(C(N)C(C)(C)C)[nH]5)ccc4cc3c2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 2/20 0.46
SCN10A Q9Y5Y9 9/20 0.37
HDAC1 Q13547 2/20 0.36
KCNH2 Q12809 2/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
HDAC3 O15379 1/20 0.34

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
SCHEMBL15116841 1.00 NLN (0.46) NLNSCN10AHDAC1KCNH2SCN1A
SCHEMBL19388595 1.00 NLN (0.46) NLNSCN10AHDAC1KCNH2SCN1A
SCHEMBL19414850 0.93 NLN (0.46) NLNSCN10AKCNH2SCN1ASCN5A
SCHEMBL1315025 0.93 NLN (0.46) NLNSCN10AKCNH2SCN1ASCN5A
SCHEMBL19388433 0.88 NLN (0.39) NLNHDAC1HDAC3
SCHEMBL15116782 0.88 NLN (0.39) NLNHDAC1HDAC3
SCHEMBL19388554 0.85 AAK1 (0.47) NLNSCN10A
SCHEMBL20054422 0.85 AAK1 (0.47) NLNSCN10A
SCHEMBL15116784 0.85 AAK1 (0.47) NLNSCN10A
SCHEMBL16407731 0.85 SCN10A (0.44) NLNSCN10AKCNH2SCN1ASCN5A

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