SCHEMBL13680838

SCHEMBL13680838

NC(=O)Oc1ccc(-c2cccc(CCC=O)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.42
KIF11 P52732 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PARP1 P09874 1/20 0.36
AOC3 Q16853 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13680840 0.88 RAB9A (0.41) SCN9AKMT2AMEN1NPC1MAPT
SCHEMBL13681339 0.88 SCN9A (0.38) SCN9AKMT2APARP1NPC1MAPT
SCHEMBL13680842 0.84 RAB9A (0.45) SCN9AKMT2ANPC1MAPTNFKB1
SCHEMBL13680839 0.84 ALDH1A1 (0.45) SCN9AKMT2ANPC1MAPTNFKB1
SCHEMBL13680835 0.83 MAP4K4 (0.42) SCN9AAOC3NPC1RAB9A
SCHEMBL27747193 0.81 SCN9A (0.47) SCN9AKIF11KMT2AMEN1PARP1
SCHEMBL13680815 0.81 PDE10A (0.46) SCN9AKMT2AMEN1PARP1NPC1
SCHEMBL13680830 0.79 RARA (0.44) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL13680825 0.79 MAPT (0.41) SCN9AKMT2AMAPTSMN1; SMN2
SCHEMBL13680824 0.78 SUCNR1 (0.44) SCN9ANPC1MAPTRAB9A

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed