SCHEMBL13680835

SCHEMBL13680835

NC(=O)c1ccc(-c2cccc(CCC=O)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.42
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
MAPK8 P45983 3/20 0.39
CAMKK2 Q96RR4 2/20 0.39
PIK3CG P48736 1/20 0.39
GSK3B P49841 1/20 0.39
MAPK10 P53779 1/20 0.38
DGAT1 O75907 1/20 0.38
MKNK1 Q9BUB5 3/20 0.37
MKNK2 Q9HBH9 3/20 0.37
SCN9A Q15858 1/20 0.37
MAPK1 P28482 1/20 0.36
TLR8 Q9NR97 1/20 0.36
CYP17A1 P05093 1/20 0.36
PARP10 Q53GL7 1/20 0.36
MAP2K4 P45985 1/20 0.36
AOC3 Q16853 1/20 0.35
ERN1 O75460 1/20 0.35
TGFBR1 P36897 1/20 0.35

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
SCHEMBL13680830 0.87 RARA (0.44) MAPK8CAMKK2PIK3CGGSK3BNPC1
SCHEMBL13680825 0.87 MAPT (0.41) SCN9A
SCHEMBL13680828 0.83 ALDH1A1 (0.42) TLR8ERN1NPC1RAB9A
SCHEMBL13680836 0.83 NPC1 (0.44) MKNK1MKNK2NPC1RAB9A
SCHEMBL13680838 0.83 SCN9A (0.42) SCN9AAOC3NPC1RAB9A
SCHEMBL13680837 0.83 ALDH1A1 (0.40) MAPK1ERN1
SCHEMBL3854280 0.81 MEN1 (0.50) RAB9A
SCHEMBL13680834 0.80 PDE10A (0.39) RAB9A
SCHEMBL13680827 0.78 KMT2A (0.50) MAPK1NPC1RAB9A
SCHEMBL13680840 0.78 RAB9A (0.41) SCN9ANPC1RAB9A

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