SCHEMBL6746003

SCHEMBL6746003

NS(=O)(=O)c1cc(F)c(-c2ncccc2-c2cccc(C(F)(F)F)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
AR P10275 1/20 0.47
ALOX5AP P20292 6/20 0.45
FEN1 P39748 6/20 0.45
PTGES2 Q9H7Z7 2/20 0.41
KCNA5 P22460 3/20 0.40
KCNH2 Q12809 1/20 0.40
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP2C9 P11712 1/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
AKR1C3 P42330 2/20 0.38

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
SCHEMBL6750087 0.89 ALOX5AP (0.47) LMNAARALOX5APFEN1
SCHEMBL6729590 0.87 FEN1 (0.47) LMNAARALOX5APFEN1PTGES2
SCHEMBL6747071 0.86 FEN1 (0.44) ALOX5APFEN1PTGES2MAOB
SCHEMBL6750040 0.85 PTGS2 (0.46) ALOX5APFEN1PTGES2F10
SCHEMBL6837804 0.84 CA1 (0.46) LMNAARKCNA5KCNH2MAOB
SCHEMBL6744800 0.84 FEN1 (0.40) ALOX5APFEN1PTGES2SCN9AAKR1C3
SCHEMBL6743644 0.84 NPC1 (0.44) ALOX5APFEN1SCN9A
SCHEMBL6746036 0.84 FEN1 (0.40) ALOX5APFEN1PTGES2MAOB
SCHEMBL6749848 0.84 PTGES2 (0.44) ALOX5APFEN1PTGES2KCNA5KCNH2
SCHEMBL6749461 0.82 FEN1 (0.47) ALOX5APFEN1

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