SCHEMBL8552370

SCHEMBL8552370

COc1ccc(-c2cc(S(N)(=O)=O)c(C(F)(F)F)cc2-c2ncco2)cc1F.COc1ccc(-c2oc(C(F)(F)F)nc2-c2ccccc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.38
PTGS1 P23219 9/20 0.38
NTRK1 P04629 1/20 0.35
ACLY P53396 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
IMPDH2 P12268 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
PPARD Q03181 1/20 0.32

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
Sulfamide SCHEMBL4639002 0.81 PTGS2 (0.46) PTGS2PTGS1SMN1; SMN2HPGDNFKB1
SCHEMBL8551071 0.77 NTRK1 (0.41) PTGS2NTRK1HPGDLMNAALDH1A1
SCHEMBL8140595 0.77 MIF (0.43) PTGS2PTGS1SMN1; SMN2HPGDNFKB1
SCHEMBL8908949 0.76 ALOX5AP (0.40) PTGS2PTGS1
SCHEMBL213239 0.76 PTGS2 (0.56) PTGS2PTGS1ALDH1A1
SCHEMBL8552368 0.73 ACLY (0.36) PTGS2PTGS1NTRK1ACLYIMPDH2
SCHEMBL8147501 0.72 PTGS2 (0.57) PTGS2PTGS1ALDH1A1
SCHEMBL8153075 0.71 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8146634 0.69 MAOB (0.55) PTGS2PTGS1TP53
SCHEMBL6250172 0.69 MIF (0.43) PTGS2PTGS1SMN1; SMN2HPGDNFKB1

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