SCHEMBL3467571

SCHEMBL3467571

COc1ccccc1Cc1nnc(NS(=O)(=O)c2ccc(C#N)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
GGT1 P19440 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.52
PKM P14618 2/20 0.49
ATM Q13315 1/20 0.49
RECQL P46063 1/20 0.48
POLB P06746 1/20 0.48
ACLY P53396 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL3467388 0.86 ALDH1A1 (0.69) ALDH1A1GGT1MEN1KMT2AMAPT
SCHEMBL3468536 0.82 ALDH1A1 (0.55) ALDH1A1GGT1MEN1KMT2AMAPT
SCHEMBL3467954 0.82 ALDH1A1 (0.57) ALDH1A1GGT1MEN1KMT2AMAPT
SCHEMBL3467627 0.75 ALDH1A1 (0.54) ALDH1A1GGT1MEN1KMT2AMAPT
SCHEMBL3467279 0.73 P2RY1 (0.54) ALDH1A1GGT1MEN1KMT2AMAPT
SCHEMBL3467937 0.73 ALDH1A1 (0.52) ALDH1A1GGT1MEN1KMT2AMAPT
SCHEMBL3467123 0.72 MEN1 (0.47) ALDH1A1GGT1MEN1KMT2AMAPT
SCHEMBL3011618 0.70 ALDH1A1 (1.00) ALDH1A1GGT1MEN1KMT2AMAPT
SCHEMBL14864422 0.67 ATM (1.00) ALDH1A1GGT1MEN1KMT2APKM
SCHEMBL3467488 0.67 ALDH1A1 (0.79) ALDH1A1GGT1MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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