SCHEMBL7550102

SCHEMBL7550102

COC(=O)c1c2c3c(cc(Cl)cc3n1S(=O)(=O)c1ccccc1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACLY P53396 1/20 0.36
HTR6 P50406 3/20 0.36
MAPK8 P45983 3/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 1/20 0.36
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
PPARD Q03181 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GAA P10253 1/20 0.34
KCNT1 Q5JUK3 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7549297 0.78 MAPK8 (0.36) MEN1KMT2AHTR6MAPK8MAPK9
SCHEMBL7549547 0.78 PPARD (0.35) MEN1KMT2AHTR6MAPK8MAPK9
SCHEMBL8074933 0.78 SLC6A3 (0.37) NLRP3KMT2AGAA
SCHEMBL7549335 0.74 MAPK8 (0.35) HTR6MAPK8MAPK9MAPK10NOD2
SCHEMBL23924021 0.67 KMT2A (0.42) MEN1KMT2ANOD2NOD1GAA
SCHEMBL2000226 0.66 KMT2A (0.40) MEN1KMT2AACLYNOD2NOD1
SCHEMBL8874979 0.66 NOD2 (0.49) MEN1KMT2ANOD2NOD1GAA
SCHEMBL8971346 0.66 ACLY (0.47) MEN1KMT2AACLYPPARGPPARA
SCHEMBL14115940 0.65 KMT2A (0.39) MEN1KMT2AACLYNOD2NOD1
SCHEMBL22003908 0.65 ACLY (0.78) ACLYHTR6MAPK8MAPK9MAPK10

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