SCHEMBL8916161

SCHEMBL8916161

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.44
AR P10275 2/20 0.44
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 0.42
RORC P51449 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SLC40A1 Q9NP59 1/20 0.40
CLK1 P49759 1/20 0.39
PIK3CB P42338 1/20 0.39
MAP2K4 P45985 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PGR P06401 2/20 0.38
ALOX15 P16050 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
SCHEMBL8916271 0.90 CA1 (0.43) NR3C1ARCA1CA2MMP1
SCHEMBL8917772 0.89 CA1 (0.43) NR3C1ARCA1CA2MMP1
SCHEMBL8919219 0.89 CA1 (0.45) NR3C1ARCA1CA2MMP1
SCHEMBL8918872 0.89 KDM1A (0.45) NR3C1ARCA1CA2MMP1
SCHEMBL8916626 0.88 CA1 (0.46) NR3C1ARCA1CA2MMP1
SCHEMBL8918908 0.87 CA1 (0.41) NR3C1ARCA1CA2MMP1
SCHEMBL8918164 0.86 PPARG (0.41) NR3C1ARCA1CA2MMP1
SCHEMBL8917793 0.86 CA1 (0.43) NR3C1ARCA1CA2MMP1
SCHEMBL8917188 0.86 PLAU (0.48) NR3C1ARCA1CA2MMP1
SCHEMBL8918757 0.86 ALDH1A1 (0.41) NR3C1ARCA1CA2MMP1

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