SCHEMBL13692689

SCHEMBL13692689

Nc1c(F)cccc1S(=O)(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES2 Q9H7Z7 4/20 0.37
▸ GAA P10253 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ PKM P14618 2/20 0.34
▸ PKLR P30613 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ TTR P02766 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13012200 0.81 CA2 (0.50) PTGES2CA1CA2CA9CA12
SCHEMBL2061390 0.79 ADRA2A (0.38) PTGES2GAACA1CA2CA9
SCHEMBL3425152 0.79 TTR (0.50) PTGES2GAACA1CA2CA9
SCHEMBL29543283 0.78 PTGES2 (0.46) PTGES2TRPV4PKMPKLRNFE2L2
SCHEMBL1515862 0.78 PTGES2 (0.46) PTGES2TRPV4PKMPKLRNFE2L2
SCHEMBL30605911 0.78 ALDH1A1 (0.44) NFE2L2ALDH1A1HSD17B10TDP1AKR1B1
SCHEMBL16412 0.78 ALDH1A1 (0.44) NFE2L2ALDH1A1HSD17B10TDP1AKR1B1
SCHEMBL14812406 0.77 CCR4 (0.40) PTGES2TRPV4PKMPKLRNFE2L2
SCHEMBL27419864 0.75 TRPV4 (0.35) PTGES2TRPV4PKMPKLRNFE2L2
SCHEMBL2163747 0.75 EDNRB (0.36) PTGES2TRPV4CA1CA2CA4

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
WO-2009109539-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-09-11 — — WO disclosed
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