SCHEMBL7252882

SCHEMBL7252882

O=C([AsH]c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1C(=O)O)c1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.61
HSPB1 P04792 2/20 0.44
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
PABPC1 P11940 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 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
SCHEMBL7252878 1.00 PPARG (0.61) PPARGHSPB1MAPTNPSR1RAB9A
SCHEMBL7039770 0.82 PPARG (0.85) PPARGHSPB1MAPTRAB9AMEN1
SCHEMBL7039776 0.82 PPARG (0.85) PPARGHSPB1MAPTRAB9AMEN1
SCHEMBL7040867 0.81 PPARG (0.83) PPARGMAPTRAB9AMEN1KMT2A
Lithium Ion SCHEMBL7040861 0.76 PPARG (1.00) PPARGMAPTRAB9AMEN1KMT2A
SCHEMBL7036261 0.75 PPARG (0.82) PPARGMAPTRAB9AMEN1KMT2A
SCHEMBL11274403 0.73 HSPB1 (0.73) PPARGHSPB1MAPTNPSR1RAB9A
SCHEMBL11162289 0.72 HSPB1 (0.63) PPARGHSPB1MAPTNPSR1RAB9A
SCHEMBL1498294 0.71 HSPB1 (0.67) PPARGHSPB1MAPTNPSR1RAB9A
SCHEMBL23926985 0.69 HSPB1 (0.59) PPARGHSPB1MAPTNPSR1RAB9A

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
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 WO claimed