SCHEMBL5794979

SCHEMBL5794979

CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HSD11B1 P28845 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL5807088 0.84 ALDH1A1 (0.48) L3MBTL1ALDH1A1HPGDKMT2AMAPT
SCHEMBL5798466 0.82 KMT2A (0.46) L3MBTL1ALDH1A1POLBKMT2AMAPT
SCHEMBL11888752 0.81 ALDH1A1 (0.54) L3MBTL1ALDH1A1POLBHPGDKMT2A
SCHEMBL5796806 0.81 KMT2A (0.45) L3MBTL1ALDH1A1POLBKMT2AMAPT
SCHEMBL5798883 0.80 KMT2A (0.44) L3MBTL1ALDH1A1POLBKMT2AMAPT
SCHEMBL10478884 0.80 L3MBTL1 (0.43) L3MBTL1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL5795479 0.79 HSD11B1 (0.46) POLBMAPTKDM4EPTGDR2HCRTR1
SCHEMBL5795471 0.79 HSD11B1 (0.46) POLBMAPTKDM4EPTGDR2HCRTR1
SCHEMBL11947869 0.77 ALDH1A1 (0.59) L3MBTL1ALDH1A1POLBHPGDMAPT
SCHEMBL5798827 0.77 HSD11B1 (0.40) ALDH1A1KMT2AMAPTKDM4EHCRTR1

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-2006030211-A2 ACYCLIC SULPHONAMIDES VERNALIS (R & D) LIMITED (GB) 2006-03-23 WO disclosed