SCHEMBL8918872

SCHEMBL8918872

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
PPARG P37231 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
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
CCR2 P41597 2/20 0.42
CCR1 P32246 1/20 0.42
CCR4 P51679 1/20 0.42
TSHR P16473 1/20 0.41
NR3C1 P04150 1/20 0.40
AR P10275 1/20 0.40
S1PR1 P21453 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
CLK1 P49759 1/20 0.39

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) PPARGKMT2AMEN1CA1CA2
SCHEMBL8916161 0.89 NR3C1 (0.44) KDM1AKMT2AMEN1CA1CA2
SCHEMBL8917772 0.88 CA1 (0.43) KDM1AKMT2AMEN1CA1CA2
SCHEMBL8919219 0.88 CA1 (0.45) PPARGKMT2AMEN1CA1CA2
SCHEMBL8916626 0.87 CA1 (0.46) PPARGKMT2AMEN1CA1CA2
SCHEMBL8918908 0.86 CA1 (0.41) KDM1APPARGKMT2AMEN1CA1
SCHEMBL8918757 0.85 ALDH1A1 (0.41) PPARGKMT2AMEN1CA1CA2
SCHEMBL8917793 0.85 CA1 (0.43) PPARGKMT2AMEN1CA1CA2
SCHEMBL8917188 0.85 PLAU (0.48) PPARGCA1CA2MMP1MMP2
SCHEMBL8918164 0.85 PPARG (0.41) PPARGKMT2AMEN1CA1CA2

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