SCHEMBL6746734

SCHEMBL6746734

NS(=O)(=O)c1c(F)cc(-c2ncccc2-c2cccc(C(F)(F)F)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
AR P10275 1/20 0.44
FEN1 P39748 4/20 0.42
ALOX5AP P20292 3/20 0.42
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KCNA5 P22460 3/20 0.41
KCNH2 Q12809 1/20 0.41
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
PTGES2 Q9H7Z7 2/20 0.38
CKS1B P61024 1/20 0.38
SKP2 Q13309 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PIM1 P11309 1/20 0.37
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL6744770 0.88 KIF11 (0.43) LMNAARFEN1ALOX5APMAOB
SCHEMBL6729590 0.86 FEN1 (0.47) LMNAARFEN1ALOX5APMAOB
SCHEMBL6744241 0.85 FEN1 (0.43) FEN1ALOX5APMAOBCA1CA2
SCHEMBL6835049 0.84 LMNA (0.42) LMNAARMAOBADORA2AADORA1
SCHEMBL6743148 0.84 PTGS2 (0.51) FEN1ALOX5APCA1CA2GAA
SCHEMBL6743007 0.83 FEN1 (0.41) FEN1ALOX5APADORA1PTGES2CA1
SCHEMBL6747351 0.83 FEN1 (0.41) FEN1ALOX5APMAOBCA1CA2
SCHEMBL6746016 0.83 RORB (0.43) FEN1MAOBADORA2AADORA1KCNA5
SCHEMBL6749869 0.83 DHODH (0.42) FEN1ADORA2AADORA1KCNA5KCNH2
SCHEMBL6746754 0.83 FEN1 (0.44) FEN1ALOX5APMAOBCA1CA2

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-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed