SCHEMBL8637623

SCHEMBL8637623

NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1C1C=CCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.38
PTGS1 P23219 6/20 0.38
F10 P00742 5/20 0.37
F2 P00734 2/20 0.37
PDPK1 O15530 4/20 0.37
KLKB1 P03952 1/20 0.35
PROC P04070 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL8637272 0.83 CRACR2A (0.43) PTGS2PTGS1F10F2PDPK1
SCHEMBL8981267 0.82 PTGS2 (0.53) PTGS2PTGS1PDPK1
SCHEMBL8641063 0.82 CRACR2A (0.42) PTGS2PTGS1F10F2PDPK1
SCHEMBL8639303 0.82 CRACR2A (0.42) PTGS2PTGS1F10F2PDPK1
SCHEMBL8644078 0.80 PTGS2 (0.39) PTGS2PTGS1F10F2PDPK1
SCHEMBL8637619 0.75 ALOX15 (0.34) PTGS2PTGS1
SCHEMBL8641446 0.74 CRACR2A (0.40) PTGS2PTGS1F10F2PDPK1
SCHEMBL8688891 0.73 PTGES2 (0.39) PTGS2PTGS1F10F2PDPK1
SCHEMBL8641235 0.72 PTGS2 (0.64) PTGS2PTGS1PDPK1
SCHEMBL8640768 0.71 PTGS2 (0.67) PTGS2PTGS1PDPK1

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 2 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