SCHEMBL8281164

SCHEMBL8281164

O=S(=O)(Nc1ccc(N2CCCC2)cc1)c1ccc(O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.56
MAPT P10636 5/20 0.55
GFER P55789 5/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
APP P05067 1/20 0.55
LMNA P02545 4/20 0.53
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 1/20 0.49
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL8278268 0.78 GAA (0.50) PDK2MAPTGFERALDH1A1GAA
SCHEMBL14018765 0.76 MAPT (0.66) MAPTGFERALDH1A1GAAKMT2A
SCHEMBL532896 0.75 ACLY (0.65) MAPTGFERALDH1A1GAAKMT2A
SCHEMBL18553735 0.73 HTR6 (0.61) PDK2ALDH1A1LMNA
SCHEMBL10988362 0.71 KDM4E (0.48) PDK2MAPTGFERALDH1A1GAA
SCHEMBL28824858 0.70 MAPT (0.60) MAPTGFERALDH1A1GAAKMT2A
SCHEMBL8278302 0.69 ESR1 (0.55) GFERALDH1A1GAASMN1; SMN2HSP90AA1
SCHEMBL28751618 0.69 ALDH1A1 (0.56) MAPTGFERALDH1A1GAAKMT2A
SCHEMBL24876736 0.69 KMT2A (0.63) MAPTGFERALDH1A1GAAKMT2A
SCHEMBL31679838 0.69 KMT2A (0.63) MAPTGFERALDH1A1GAAKMT2A

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-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 WO disclosed