SCHEMBL1715019

SCHEMBL1715019

COc1ccc(F)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.76
GFER P55789 2/20 0.76
KMT2A Q03164 3/20 0.76
MEN1 O00255 1/20 0.76
ALDH1A1 P00352 3/20 0.75
LMNA P02545 5/20 0.66
TSHR P16473 3/20 0.66
MAPK1 P28482 2/20 0.66
USP2 O75604 1/20 0.66
GLA P06280 1/20 0.66
HSD17B10 Q99714 1/20 0.66
POLB P06746 2/20 0.64
TP53 P04637 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.59
PKM P14618 2/20 0.58
HTT P42858 1/20 0.57
HPGD P15428 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.54

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
SCHEMBL1714644 0.81 PKM (0.61) GAAGFERKMT2AMEN1ALDH1A1
SCHEMBL11508895 0.78 GAA (0.82) GAAGFERKMT2AMEN1ALDH1A1
SCHEMBL2769068 0.78 ALDH1A1 (0.71) GAAGFERKMT2AMEN1ALDH1A1
SCHEMBL5255516 0.77 GAA (0.80) GAAGFERKMT2AMEN1ALDH1A1
SCHEMBL2961007 0.75 SMN1; SMN2 (0.80) GAAGFERKMT2AMEN1ALDH1A1
SCHEMBL15658838 0.74 LMNA (0.61) GAAGFERKMT2AMEN1ALDH1A1
SCHEMBL11507203 0.74 GAA (0.74) GAAGFERKMT2AMEN1ALDH1A1
SCHEMBL9312346 0.74 GAA (0.74) GAAGFERKMT2AMEN1ALDH1A1
SCHEMBL5747349 0.74 GAA (0.69) GAAGFERKMT2AMEN1ALDH1A1
SCHEMBL1374567 0.72 HDAC3 (0.80) GAAGFERKMT2AMEN1ALDH1A1

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
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed