SCHEMBL5801079

SCHEMBL5801079

O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
PLA2G7 Q13093 1/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR4 Q5NUL3 1/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 2/20 0.44
HSPB1 P04792 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
TBXA2R P21731 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1472050 0.87 CCR2 (0.48) LMNAALDH1A1POLBPLA2G7HPGD
SCHEMBL5798868 0.83 PLA2G7 (0.49) LMNAALDH1A1POLBPLA2G7HPGD
SCHEMBL1472167 0.82 CCR2 (0.46) LMNAALDH1A1POLBPLA2G7HPGD
SCHEMBL8141281 0.81 HSPB1 (0.57) ALDH1A1POLBPLA2G7KMT2AMEN1
SCHEMBL31457196 0.80 HSPB1 (0.57) ALDH1A1POLBPLA2G7KMT2AMEN1
SCHEMBL11092359 0.78 PDE7A (0.53) ALDH1A1POLBPLA2G7KMT2AMEN1
SCHEMBL4780615 0.78 HSPB1 (0.54) LMNAALDH1A1POLBKMT2AMEN1
SCHEMBL4540927 0.78 MEN1 (0.55) LMNAALDH1A1POLBHPGDL3MBTL1
SCHEMBL1472230 0.77 LMNA (0.63) LMNAALDH1A1POLBHPGDKMT2A
SCHEMBL5800965 0.76 CRHBP (0.67) LMNAALDH1A1POLBHPGDL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed