SCHEMBL4660339

SCHEMBL4660339

C=Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(=O)O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C19 P33261 1/20 0.54
METAP2 P50579 4/20 0.51
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
GFER P55789 1/20 0.43
USP2 O75604 1/20 0.43
DNMT1 P26358 1/20 0.43
CCR6 P51684 1/20 0.43
SLC25A1 P53007 1/20 0.42
KCNA5 P22460 1/20 0.42
MCL1 Q07820 2/20 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
SCHEMBL3514441 0.92 CYP2C9 (0.53) CYP2C9CYP1A2CYP2C19METAP2MAPT
SCHEMBL3515468 0.89 CYP2C9 (0.74) CYP2C9CYP1A2CYP2C19METAP2LMNA
SCHEMBL4662890 0.87 CYP2C9 (0.71) CYP2C9CYP1A2CYP2C19METAP2MAPT
SCHEMBL3512984 0.84 CYP2C9 (0.90) CYP2C9CYP1A2CYP2C19METAP2LMNA
SCHEMBL14075394 0.83 CYP2C9 (0.78) CYP2C9CYP1A2CYP2C19METAP2MAPT
SCHEMBL3511645 0.81 CYP2C9 (0.52) CYP2C9CYP1A2CYP2C19METAP2MAPT
SCHEMBL3511640 0.81 CYP2C9 (0.52) CYP2C9CYP1A2CYP2C19METAP2MAPT
SCHEMBL3511632 0.80 CYP2C9 (0.60) CYP2C9CYP1A2CYP2C19METAP2MAPT
SCHEMBL3511540 0.80 CYP2C9 (0.60) CYP2C9CYP1A2CYP2C19METAP2MAPT
SCHEMBL3513665 0.79 CYP2C9 (0.82) CYP2C9CYP1A2CYP2C19METAP2GFER

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-2005177-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM Tibotec Pharmaceuticals Ltd. (IE) 2008-12-24 EP disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 WO disclosed