SCHEMBL20035977

SCHEMBL20035977

COc1ccccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
PKM P14618 5/20 0.68
ALDH1A1 P00352 5/20 0.68
HTT P42858 5/20 0.68
GAA P10253 1/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NAMPT P43490 1/20 0.58
LMNA P02545 6/20 0.57
POLB P06746 2/20 0.57
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HCRTR1 O43613 1/20 0.55
MAPK1 P28482 3/20 0.55
ALOX15 P16050 2/20 0.55
USP2 O75604 1/20 0.55
RECQL P46063 1/20 0.54
REV1 Q9UBZ9 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL20036036 0.93 ALDH1A1 (0.68) MAPTPKMALDH1A1HTTGAA
SCHEMBL27856225 0.92 PKM (0.71) MAPTPKMALDH1A1HTTGAA
SCHEMBL20035941 0.90 PKM (0.69) MAPTPKMALDH1A1HTTGAA
SCHEMBL20036032 0.89 ALDH1A1 (0.66) MAPTPKMALDH1A1HTTGAA
SCHEMBL26810856 0.87 ALDH1A1 (0.76) MAPTPKMALDH1A1HTTGAA
SCHEMBL2703575 0.86 PKM (0.71) MAPTPKMALDH1A1HTTGAA
SCHEMBL2701108 0.85 PKM (0.70) MAPTPKMALDH1A1HTTGAA
SCHEMBL20036047 0.85 PKM (0.75) MAPTPKMALDH1A1HTTGAA
SCHEMBL20035974 0.84 ALDH1A1 (0.67) MAPTPKMALDH1A1HTTGAA
SCHEMBL20036048 0.84 ALDH1A1 (0.69) MAPTPKMALDH1A1HTTMEN1

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