SCHEMBL7549547

SCHEMBL7549547

COC(=O)c1c2c3c(cc(Cl)cc3n1S(=O)(=O)c1ccccc1)CCC2CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.35
TBXA2R P21731 2/20 0.35
PTGDR Q13258 2/20 0.35
MAPK8 P45983 3/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 1/20 0.35
PPARA Q07869 4/20 0.35
PPARG P37231 3/20 0.35
HTR6 P50406 2/20 0.35
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL7549297 0.84 MAPK8 (0.36) MAPK8MAPK9MAPK10HTR6HSD17B10
SCHEMBL7549335 0.80 MAPK8 (0.35) MAPK8MAPK9MAPK10PPARAPPARG
SCHEMBL7550102 0.78 NLRP3 (0.37) PPARDMAPK8MAPK9MAPK10PPARA
SCHEMBL7551106 0.77 NAMPT (0.31) MAPK8
SCHEMBL7550297 0.69 GRIN1 (0.41) PPARDPPARAHSD17B10
SCHEMBL8874979 0.66 NOD2 (0.49) NOD2NOD1MEN1KMT2A
SCHEMBL8346527 0.64 NOD2 (0.47) NOD2NOD1MEN1KMT2A
SCHEMBL8971346 0.63 ACLY (0.47) PPARDPPARAPPARGMEN1KMT2A
SCHEMBL2000226 0.62 KMT2A (0.40) PPARDPTGDRPPARAPPARGNOD2
SCHEMBL22003908 0.61 ACLY (0.78) PTGDRMAPK8MAPK9MAPK10HTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657427-B1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMA (JP) 2002-06-19 EP disclosed
US-5496843-A Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-03-05 US disclosed
EP-0657427-A1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-06-14 EP disclosed