SCHEMBL8637334

SCHEMBL8637334

O=S(=O)(Nn1ncc(C(F)(F)F)c1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.45
AR P10275 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FFAR4 Q5NUL3 2/20 0.36
KAT6A Q92794 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
PGR P06401 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL8693263 0.85 NPSR1 (0.46) NR3C1ARNPSR1LMNAKDM4E
SCHEMBL8688576 0.78 PTGS1 (0.49) NPSR1LMNAALDH1A1GAAHPGD
SCHEMBL8639075 0.76 PTGS2 (0.41) NR3C1ARNPSR1LMNAALDH1A1
SCHEMBL8638994 0.75 LMNA (0.46) NPSR1LMNAKDM4EALDH1A1GAA
SCHEMBL8688508 0.75 PTGS1 (0.49) NPSR1LMNAKDM4EALDH1A1GAA
SCHEMBL8639252 0.74 LMNA (0.48) NPSR1LMNAKDM4EALDH1A1GAA
SCHEMBL8351386 0.74 PTGS2 (0.49) NR3C1AR
SCHEMBL8689251 0.72 ALDH1A1 (0.42) NPSR1LMNAKDM4EALDH1A1CYP1A2
SCHEMBL8691849 0.72 PTGS2 (0.49) NPSR1KDM4EALDH1A1HPGDFFAR4
SCHEMBL8638976 0.72 PTGS2 (0.37) NR3C1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed