SCHEMBL27727366

SCHEMBL27727366

CC(=O)OC1=C(C)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
PKM P14618 1/20 0.53
PKLR P30613 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
BRD4 O60885 1/20 0.50
PLAU P00749 2/20 0.49
ATM Q13315 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL2899883 0.80 HTR6 (0.71) HTR6SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL10326743 0.80 HTR6 (0.76) HTR6SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL2900833 0.79 HTR6 (0.78) HTR6SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL2909209 0.78 HTR6 (0.73) HTR6SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL10326883 0.77 HTR6 (0.72) HTR6SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL2907151 0.76 HTR6 (0.64) HTR6SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL2906939 0.76 HTR6 (1.00) HTR6SMN1; SMN2LMNAPKMPKLR
SCHEMBL27748109 0.75 HTR6 (0.66) HTR6SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL13297277 0.75 HTR6 (0.68) HTR6SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL2905648 0.73 HTR6 (0.72) HTR6SMN1; SMN2LMNAPKMPKLR

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
CN-101356149-A Indene derivatives, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2009-01-28 CN disclosed