SCHEMBL8638976

SCHEMBL8638976

CCCc1c(C(F)(F)F)nn(NS(=O)(=O)c2ccccc2)c1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.37
PTGS1 P23219 3/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
NR1I2 O75469 1/20 0.34
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
SCHEMBL8638192 0.90 TAAR1 (0.42) PTGS2PTGS1SMN1; SMN2NPSR1LMNA
SCHEMBL8637418 0.89 MEN1 (0.36) PTGS2PTGS1HTTSMN1; SMN2NPSR1
SCHEMBL8643560 0.85 HTT (0.39) PTGS2PTGS1HTTSMN1; SMN2NPSR1
SCHEMBL8688627 0.85 PTGS2 (0.44) PTGS2PTGS1SMN1; SMN2NPSR1LMNA
SCHEMBL8639075 0.84 PTGS2 (0.41) PTGS2PTGS1NPSR1LMNANR3C1
SCHEMBL8693949 0.83 PTGS1 (0.44) PTGS2PTGS1HTTSMN1; SMN2NPSR1
SCHEMBL8689002 0.82 PTGS1 (0.55) PTGS2PTGS1HTTSMN1; SMN2
SCHEMBL8689174 0.80 ALDH1A1 (0.45) PTGS2PTGS1HTTSMN1; SMN2NPSR1
SCHEMBL8689171 0.80 PTGS2 (0.41) PTGS2PTGS1SMN1; SMN2LMNA
SCHEMBL8688468 0.80 PTGS2 (0.39) PTGS2PTGS1SMN1; SMN2NPSR1

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