SCHEMBL3467937

SCHEMBL3467937

COc1ccccc1CCc1nnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 2/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLS O94925 2/20 0.46
GGT1 P19440 1/20 0.46
ATM Q13315 1/20 0.46
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL3467954 0.91 ALDH1A1 (0.57) ALDH1A1MAPTPKMMEN1KMT2A
SCHEMBL3467186 0.82 ATM (0.52) ALDH1A1PKMMEN1KMT2AGGT1
SCHEMBL3467388 0.79 ALDH1A1 (0.69) ALDH1A1MAPTPKMMEN1KMT2A
SCHEMBL3468536 0.77 ALDH1A1 (0.55) ALDH1A1MAPTPKMMEN1KMT2A
SCHEMBL3466966 0.75 SMN1; SMN2 (0.54) ALDH1A1MAPTPKMMEN1KMT2A
SCHEMBL3467359 0.74 ALDH1A1 (0.52) ALDH1A1MAPTPKMMEN1KMT2A
SCHEMBL3467627 0.74 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AGLS
SCHEMBL3467524 0.73 P2RY1 (0.44) ALDH1A1MAPTPKMMEN1KMT2A
SCHEMBL3467571 0.73 ALDH1A1 (0.54) ALDH1A1MAPTPKMMEN1KMT2A
SCHEMBL3468791 0.72 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AGGT1

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-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed