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Sugi Predict / Compounds / SCHEMBL8101170

SCHEMBL8101170

SCHEMBL8101170

CCCCOc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1C

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.77
▸ PTGS1 P23219 8/20 0.77
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL8088327 0.90 PTGS2 (0.64) PTGS2PTGS1MEN1KMT2A
SCHEMBL8101165 0.88 PTGS2 (0.76) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8098733 0.87 PTGS2 (0.74) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8093929 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8092367 0.86 PTGS2 (0.73) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8093945 0.86 PTGS2 (0.73) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8098732 0.86 PTGS2 (0.83) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8095458 0.85 PTGS2 (0.81) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8093419 0.85 PTGS2 (0.72) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8094071 0.85 PTGS2 (0.80) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 — — EP claimed