SCHEMBL3422995

SCHEMBL3422995

COc1cc(S(=O)(=O)O)c(N)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
HTR2A P28223 4/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
PTGS2 P35354 3/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36

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
SCHEMBL2914715 0.85 PKM (0.56) PKMLMNAHTTMAPK1CA1
SCHEMBL7242421 0.84 PKM (0.61) PKMCA1CA2HTR2AHTR2C
SCHEMBL8568415 0.84 PKM (0.55) PKMLMNAHTTMAPK1CA1
SCHEMBL1755131 0.84 PKM (0.55) PKMLMNAHTTMAPK1CA1
SCHEMBL4649757 0.84 PKM (0.59) PKMLMNAHTTMAPK1CA1
SCHEMBL2911879 0.81 PKM (0.47) PKMLMNAHTTMAPK1CA1
SCHEMBL8113725 0.80 PKM (0.59) PKMLMNAHTTMAPK1CA1
SCHEMBL2905614 0.79 GAA (0.56) PKMLMNACA1CA2ALDH1A1
SCHEMBL3419086 0.79 ALDH1A1 (0.40) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL2912473 0.78 TAAR1 (0.46) PKMHTTMAPK1CA1CA2

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
CN-102292399-A Cyclic Fluorinated Reactive Dyes 2011-12-21 CN disclosed
WO-2010057830-A1 RING FLUORINATED REACTIVE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-05-27 WO disclosed