SCHEMBL8627699

SCHEMBL8627699

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)n[nH]c2C(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
MAP2K4 P45985 1/20 0.37
LRRK2 Q5S007 1/20 0.37
KIT P10721 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYTH2 Q99418 2/20 0.36
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.36
SGK1 O00141 1/20 0.36
IMPDH2 P12268 1/20 0.36

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
SCHEMBL8634594 0.91 FFAR4 (0.39) MAPK14FFAR4LRRK2MEN1KMT2A
SCHEMBL8631663 0.87 MAPK14 (0.46) MAPK14MAP2K4PTGS2
SCHEMBL8634943 0.86 MAP2K4 (0.44) MAPK14MAP2K4LRRK2MEN1KMT2A
SCHEMBL8629853 0.85 MEN1 (0.45) FFAR4LRRK2MEN1KMT2ATDP1
SCHEMBL8630886 0.85 MCL1 (0.45) FFAR4LRRK2MEN1KMT2ATDP1
SCHEMBL8629227 0.85 ALDH1A1 (0.43) MAPK14MEN1KMT2APTGS2L3MBTL1
SCHEMBL8631355 0.84 L3MBTL1 (0.44) MAPK14MAP2K4LRRK2MEN1KMT2A
SCHEMBL8633621 0.84 MAPK14 (0.39) MAPK14MAP2K4MEN1KMT2ATDP1
SCHEMBL8629976 0.84 L3MBTL1 (0.51) FFAR4LRRK2MEN1KMT2AL3MBTL1
SCHEMBL8633591 0.83 L3MBTL1 (0.43) FFAR4LRRK2MEN1KMT2AL3MBTL1

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
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed