SCHEMBL20036047

SCHEMBL20036047

COc1ccccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.75
ALDH1A1 P00352 4/20 0.75
MAPT P10636 2/20 0.75
HTT P42858 2/20 0.75
NAMPT P43490 1/20 0.62
LMNA P02545 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HCRTR1 O43613 1/20 0.59
RECQL P46063 1/20 0.57
EED O75530 1/20 0.57
REV1 Q9UBZ9 1/20 0.56
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL26810856 0.93 ALDH1A1 (0.76) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL20036051 0.91 PKM (0.76) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL20036042 0.91 PKM (0.76) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL20035941 0.90 PKM (0.69) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL27856225 0.89 PKM (0.71) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL20035940 0.89 PKM (0.71) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL2702504 0.87 PKM (0.77) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL20035973 0.87 ALDH1A1 (0.68) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL2703016 0.87 ALDH1A1 (0.86) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL20035968 0.86 ALDH1A1 (0.69) PKMALDH1A1MAPTHTTNAMPT

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
EP-3406251-B1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS INC (US) 2023-11-29 EP disclosed
EP-2704721-B1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS INC (US) 2018-04-11 EP disclosed