SCHEMBL17563259

SCHEMBL17563259

Cc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C)CC(=O)O3)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 7/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 6/20 0.51
TDP1 Q9NUW8 1/20 0.51
THRB P10828 2/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 4/20 0.46
TP53 P04637 4/20 0.46
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL10074944 0.88 PKM (0.52) PKMMEN1KMT2AMAPTTHRB
SCHEMBL10074947 0.85 BRD4 (0.56) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL10074946 0.83 PKM (0.50) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL10075479 0.74 PKM (0.34) PKMKMT2AHTT
SCHEMBL17174222 0.71 CES1 (0.66) PKMMEN1KMT2AMAPTTDP1
SCHEMBL10074948 0.71 PKM (0.54) PKMMEN1KMT2AMAPTTDP1
SCHEMBL12903989 0.70 MAPT (0.66) PKMMEN1KMT2AMAPTTDP1
SCHEMBL23093601 0.69 PKM (0.61) PKMMEN1KMT2AMAPTTDP1
SCHEMBL2594417 0.69 PKM (0.69) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL8976245 0.69 PKM (0.67) PKMMEN1KMT2AMAPTTDP1

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
EP-2655350-B1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS INC (US) 2016-03-09 EP disclosed