SCHEMBL20529633

SCHEMBL20529633

CC(O)CNC(=S)Nc1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 5/20 0.51
GAA P10253 4/20 0.51
MEN1 O00255 4/20 0.51
IDO1 P14902 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL20529635 1.00 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AGAAMEN1IDO1
SCHEMBL20529629 0.83 MAPT (0.65) SMN1; SMN2KMT2AGAAMEN1IDO1
SCHEMBL20529628 0.83 MAPT (0.65) SMN1; SMN2KMT2AGAAMEN1IDO1
SCHEMBL31192807 0.83 ALDH1A1 (0.59) SMN1; SMN2KMT2AGAAMEN1MAPT
SCHEMBL20109301 0.83 ALDH1A1 (0.59) SMN1; SMN2KMT2AGAAMEN1MAPT
SCHEMBL20529687 0.81 GAA (0.61) SMN1; SMN2KMT2AGAAMEN1POLB
SCHEMBL20529688 0.81 GAA (0.61) SMN1; SMN2KMT2AGAAMEN1POLB
SCHEMBL6096417 0.79 GAA (0.62) SMN1; SMN2KMT2AGAAMEN1IDO1
SCHEMBL23147067 0.79 KMT2A (0.54) SMN1; SMN2KMT2AGAAMEN1MAPT
SCHEMBL10099725 0.75 GAA (0.83) SMN1; SMN2KMT2AGAAMEN1IDO1

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-2018187414-A1 INHIBITORS OF MTOR-RICTOR INTERACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-11 WO disclosed