SCHEMBL5790751

SCHEMBL5790751

CCOc1ccc(-c2[c]c(S(C)(=O)=O)ccc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.44
PTGS1 P23219 1/20 0.39
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
FFAR1 O14842 3/20 0.36
PPARD Q03181 3/20 0.36
KDM1A O60341 2/20 0.36
HTT P42858 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
FAAH O00519 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR3C1 P04150 1/20 0.34

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
SCHEMBL7505970 0.86 PTGS2 (0.51) PTGS2PTGS1NR3C1
SCHEMBL5791783 0.75 KDM1A (0.36) PTGS2PTGS1FFAR1PPARDKDM1A
SCHEMBL8776835 0.73 PTGS2 (0.45) PTGS2PTGS1NR3C1
SCHEMBL9484876 0.72 L3MBTL1 (0.53) PTGS2PTGS1FFAR1PPARDKDM1A
SCHEMBL6930665 0.72 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL9119397 0.71 EGFR (0.38) PTGS2PTGS1L3MBTL1NR3C1
SCHEMBL9119298 0.69 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL9118873 0.68 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL9118988 0.68 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL16572511 0.67 FGFR1 (0.49) PTGS2PTGS1FFAR1PPARDKDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660500-A1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-05-31 EP disclosed
WO-2005014598-A1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2005-02-17 WO disclosed