SCHEMBL9117979

SCHEMBL9117979

O=S(=O)(c1ccc(C2=CC3(C=C2c2ccc(Br)c(Cl)c2)CC3)cc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.51
PTGS2 P35354 4/20 0.51
EPAS1 Q99814 10/20 0.42
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KIF11 P52732 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL9118066 0.90 PTGS2 (0.53) PTGS1PTGS2EPAS1LMNAMAPK1
SCHEMBL9115475 0.88 PTGS1 (0.48) PTGS1PTGS2EPAS1LMNAMAPK1
SCHEMBL9117504 0.88 PTGS2 (0.51) PTGS1PTGS2EPAS1LMNAMAPK1
SCHEMBL9118471 0.85 PTGS1 (0.45) PTGS1PTGS2EPAS1LMNAMAPK1
SCHEMBL9116962 0.85 PTGS2 (0.48) PTGS1PTGS2EPAS1LMNAMAPK1
SCHEMBL9117631 0.85 PTGS1 (0.48) PTGS1PTGS2EPAS1LMNAMAPK1
SCHEMBL9117137 0.84 PTGS1 (0.55) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL9116333 0.84 PTGS2 (0.50) PTGS1PTGS2EPAS1LMNAMAPK1
SCHEMBL9117182 0.84 PTGS2 (0.52) PTGS1PTGS2EPAS1ALDH1A1MEN1
SCHEMBL9118525 0.83 PTGS2 (0.75) PTGS1PTGS2EPAS1

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
WO-1995030652-A1 SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed