SCHEMBL8336155

SCHEMBL8336155

Cc1ccccc1NC(=O)C(NC(=S)Nc1cccc(F)c1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
PYGL P06737 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 3/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.44
DDX3X O00571 2/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL8337404 0.85 DDX3X (0.59) KMT2APYGLTSHRNPC1RAB9A
SCHEMBL8334912 0.85 KMT2A (0.53) KMT2APYGLTSHRNPC1GAA
SCHEMBL8338006 0.81 KMT2A (0.54) KMT2APYGLTSHRNPC1RAB9A
SCHEMBL6713855 0.80 MAPT (0.56) KMT2APYGLTSHRNPC1RAB9A
SCHEMBL6723389 0.80 MAPT (0.56) KMT2APYGLTSHRNPC1RAB9A
SCHEMBL8337645 0.80 KMT2A (0.47) KMT2APYGLTSHRNPC1GAA
SCHEMBL6715567 0.79 ULK1 (0.56) KMT2AGAARAB9AMEN1SMN1; SMN2
SCHEMBL6824922 0.78 KMT2A (0.63) KMT2APYGLTSHR
SCHEMBL6723186 0.77 ALDH1A1 (0.51) KMT2APYGLTSHRNPC1GAA
SCHEMBL6723568 0.77 ALDH1A1 (0.51) KMT2APYGLTSHRNPC1GAA

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-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed