SCHEMBL8552368

SCHEMBL8552368

COc1ccc(C2=C(c3ccccc3)N(NS(=O)(=O)c3cc(-c4ccc(OC)c(F)c4)c(-c4ncco4)cc3C(F)(F)F)C(C(F)(F)F)O2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.36
ACSS2 Q9NR19 1/20 0.34
SCN9A Q15858 10/20 0.33
AXL P30530 1/20 0.33
NTRK1 P04629 1/20 0.33
PI4KB Q9UBF8 1/20 0.32
IMPDH2 P12268 1/20 0.32
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
CFTR P13569 1/20 0.31

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
SCHEMBL8552370 0.73 PTGS2 (0.38) ACLYNTRK1IMPDH2PTGS2PTGS1
SCHEMBL8551071 0.68 NTRK1 (0.41) SCN9ANTRK1PTGS2CFTR
SCHEMBL8908949 0.67 ALOX5AP (0.40) PTGS2PTGS1CFTR
SCHEMBL27820773 0.62 CYP17A1 (0.48) PTGS2
SCHEMBL8908994 0.59 MAOB (0.47) ACLYIMPDH2
SCHEMBL8659730 0.56 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8648029 0.56 PTGS2 (0.59) ACLYSCN9ANTRK1PTGS2PTGS1
SCHEMBL8640455 0.56 PTGS2 (0.45) SCN9APTGS2PTGS1
SCHEMBL31034763 0.55 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL3409662 0.55 PTGS2 (0.73) PTGS2PTGS1

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-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed