SCHEMBL3721068

SCHEMBL3721068

Cn1ccnc1-c1cc(C(F)(F)F)ncc1S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
MAP4K4 O95819 1/20 0.36
PIK3CA P42336 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
BRD4 O60885 1/20 0.35
PTGS2 P35354 8/20 0.33
MCL1 Q07820 1/20 0.33
LRRK2 Q5S007 1/20 0.33
USP1 O94782 1/20 0.32
SDHB P21912 1/20 0.32
PTGS1 P23219 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
NMT1 P30419 1/20 0.31

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
SCHEMBL117977 0.79 BRD4 (0.36) SCN9ABRD4LRRK2
SCHEMBL3719531 0.79 LRRK2 (0.42) SCN9ABRD4LRRK2
SCHEMBL3722905 0.78 BRD4 (0.37) SCN9ABRD4LRRK2
SCHEMBL3728805 0.78 LRRK2 (0.41) SCN9ABRD4MCL1LRRK2
SCHEMBL3720890 0.76 LRRK2 (0.41) SCN9ABRD4LRRK2
SCHEMBL3722934 0.76 BRD4 (0.37) SCN9ABRD4LRRK2
SCHEMBL3796268 0.76 LRRK2 (0.40) SCN9ABRD4LRRK2
SCHEMBL3727131 0.74 LRRK2 (0.39) SCN9ABRD4LRRK2
SCHEMBL3723882 0.74 LRRK2 (0.39) SCN9ABRD4LRRK2
SCHEMBL3721949 0.74 SCN9A (0.35) SCN9ABRD4LRRK2

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-2010125985-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 WO disclosed