SCHEMBL8689103

SCHEMBL8689103

COc1ccc(-c2c(C)c(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
PTGS2 P35354 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL8692558 0.90 PTGS2 (0.41) MAPTGAAALDH1A1PTGS2POLB
SCHEMBL8688419 0.89 MAPT (0.45) MAPTKMT2AGAAALDH1A1NPSR1
SCHEMBL8639075 0.88 PTGS2 (0.41) LMNAMAPTGAAALDH1A1NPSR1
SCHEMBL8640282 0.87 PTGS1 (0.53) LMNAALDH1A1NPSR1HTTPTGS2
SCHEMBL8689174 0.86 ALDH1A1 (0.45) LMNAMAPTKMT2AGAAALDH1A1
SCHEMBL8692069 0.82 PTGS2 (0.56) LMNAMAPTKMT2AGAAALDH1A1
SCHEMBL7868758 0.78 PTGS2 (0.53) MAPTNPSR1CYP3A4CYP2C9PTGS2
SCHEMBL8693427 0.77 HTT (0.41) LMNAMAPTKMT2AGAAALDH1A1
SCHEMBL8693415 0.77 PTGS2 (0.47) MAPTKMT2AGAAALDH1A1PTGS2
SCHEMBL8689478 0.77 PTGS2 (0.53) MAPTGAAALDH1A1PTGS2PTGS1

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-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed