SCHEMBL7209910

SCHEMBL7209910

NS(=O)(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.74
MAPT P10636 7/20 0.56
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
HSD17B10 Q99714 3/20 0.54
ALOX15 P16050 2/20 0.54
APEX1 P27695 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
CHRNA7 P36544 1/20 0.52
PTGS1 P23219 1/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL28249029 0.82 CHRNA7 (0.57) PTGS2MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL2467810 0.77 PTGS2 (0.63) PTGS2CHRNA7PTGS1
SCHEMBL6343529 0.76 RXRA (0.66) PTGS2CHRNA7PTGS1
SCHEMBL7216760 0.75 PTGS2 (0.59) PTGS2KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL7210689 0.75 PTGS2 (0.77) PTGS2CHRNA7PTGS1
SCHEMBL3021555 0.75 PTGS2 (0.77) PTGS2CHRNA7PTGS1
SCHEMBL247093 0.74 MEN1 (0.65) PTGS2MAPTKDM4EALDH1A1MEN1
SCHEMBL9763027 0.74 MEN1 (0.81) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL244044 0.73 ADH5 (0.66) PTGS2MAPTKDM4EALDH1A1MEN1
SCHEMBL20250909 0.72 KDM4E (1.00) PTGS2MAPTKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369415-A1 Substituted pyrrolyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2003-12-10 EP disclosed
EP-0946507-B1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-09-24 EP disclosed
EP-0946507-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1999-10-06 EP disclosed
WO-1998025896-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-06-18 WO disclosed