SCHEMBL8917188

SCHEMBL8917188

COc1ccc2c(ccc3cnn(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.48
PLAT P00750 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC20A2 Q08357 1/20 0.41
SLC20A1 Q8WUM9 1/20 0.41
PPARG P37231 2/20 0.41
NR3C1 P04150 2/20 0.41
AR P10275 2/20 0.41
PGR P06401 1/20 0.41
ESR2 Q92731 1/20 0.41
HTR6 P50406 3/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL8918164 0.90 PPARG (0.41) PLAUPLATMAPTPPARGNR3C1
SCHEMBL8916271 0.88 CA1 (0.43) L3MBTL1ALDH1A1PPARGNR3C1AR
SCHEMBL8916161 0.86 NR3C1 (0.44) ALDH1A1ALOX15NR3C1ARPGR
SCHEMBL8917334 0.86 MEN1 (0.42) PLAUL3MBTL1GAAMAPTKDM4E
SCHEMBL8918908 0.85 CA1 (0.41) L3MBTL1ALDH1A1PPARGNR3C1AR
SCHEMBL8917772 0.85 CA1 (0.43) GAANR3C1ARPGRESR2
SCHEMBL8919219 0.85 CA1 (0.45) GAAALDH1A1PPARGNR3C1AR
SCHEMBL8918872 0.85 KDM1A (0.45) GAAMAPTPPARGNR3C1AR
SCHEMBL8916626 0.85 CA1 (0.46) GAAALDH1A1PPARGNR3C1AR
SCHEMBL8918757 0.85 ALDH1A1 (0.41) L3MBTL1ALDH1A1PPARGNR3C1AR

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