SCHEMBL8917772

SCHEMBL8917772

O=S(=O)(Nn1ncc2ccc3cc(Br)ccc3c21)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SLC40A1 Q9NP59 1/20 0.39
CLK1 P49759 1/20 0.39
NR3C1 P04150 2/20 0.38
AR P10275 2/20 0.38
HTR6 P50406 1/20 0.37
KDM1A O60341 2/20 0.36
PIK3CB P42338 1/20 0.36
PGR P06401 1/20 0.36
ESR2 Q92731 1/20 0.36
GAA P10253 1/20 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
SCHEMBL8916271 0.89 CA1 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL8916161 0.89 NR3C1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL8918872 0.88 KDM1A (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL8919219 0.88 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL8916626 0.87 CA1 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL8918908 0.86 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL8918757 0.85 ALDH1A1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL8918164 0.85 PPARG (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL8917188 0.85 PLAU (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL8917793 0.85 CA1 (0.43) CA1CA2MMP1MMP2MMP9

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
US-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed