SCHEMBL4637585

SCHEMBL4637585

CC(=O)Oc1cc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2F)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PLA2G7 Q13093 1/20 0.40
EPAS1 Q99814 3/20 0.36
SCN9A Q15858 2/20 0.36
HSD11B1 P28845 1/20 0.36
PTPN1 P18031 1/20 0.35
ELANE P08246 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 2/20 0.34
TTR P02766 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2065489 0.84 PTGDR2 (0.41) KMT2AMEN1EPAS1SCN9APTPN1
SCHEMBL883916 0.82 MAPT (0.44) MAPTPOLBPKMKMT2AMEN1
SCHEMBL4766608 0.76 SLC22A12 (0.46) MAPTPOLBPKMPLA2G7EPAS1
SCHEMBL27746551 0.74 PTGDR2 (0.42) MAPTPOLBPKM
SCHEMBL883855 0.72 PTGDR2 (0.43) KMT2AMEN1PLA2G7SMN1; SMN2
SCHEMBL885395 0.72 THRB (0.41) KMT2AMEN1PTPN1NAMPT
SCHEMBL883878 0.71 PTGDR2 (0.44) KMT2AMEN1PLA2G7NAMPT
SCHEMBL12076163 0.71 CYP3A4 (0.53) MAPTPOLBPKMKMT2AMEN1
SCHEMBL8798671 0.70 MAPT (0.85) MAPTPOLBPKMKMT2AMEN1
SCHEMBL8896523 0.70 MEN1 (0.50) KMT2AMEN1PTPN1SMN1; SMN2

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-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed