SCHEMBL8802006

SCHEMBL8802006

CS(=O)(=O)c1ccccc1-c1nc(C(F)(F)F)[nH]c1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
SCD O00767 3/20 0.37
FADS1 O60427 1/20 0.37
BRAF P15056 1/20 0.36
PDE2A O00408 1/20 0.35
ATR Q13535 1/20 0.35
PIK3CD O00329 2/20 0.35
SLC9A1 P19634 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SDHB P21912 1/20 0.33
MAPK14 Q16539 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
SCHEMBL8814347 0.91 ALOX5 (0.40) ALOX5POLBMEN1KMT2APTGS2
SCHEMBL6729205 0.88 PTGS2 (0.37) ALOX5POLBMEN1KMT2APTGS2
SCHEMBL7087414 0.83 PTGS2 (0.49) ALOX5PTGS2ESR1ESR2SCD
SCHEMBL6735304 0.82 ESR1 (0.41) ALOX5PTGS2ESR1ESR2SCD
SCHEMBL9079514 0.81 PTGS2 (0.43) ALOX5POLBMEN1KMT2APTGS2
SCHEMBL8810671 0.80 ALOX5 (0.46) ALOX5POLBMEN1KMT2APTGS2
SCHEMBL7740641 0.78 PTGS2 (0.42) ALOX5POLBMEN1KMT2APTGS2
SCHEMBL6739929 0.76 ESR1 (0.48) ALOX5POLBMEN1KMT2APTGS2
SCHEMBL6740267 0.76 PTGS2 (0.39) ALOX5PTGS2BRAFPDE2AMAPK14
SCHEMBL6736839 0.75 MAPK14 (0.39) ALOX5ALOX5APFEN1BRAFSLC9A1

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
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed