SCHEMBL8336337

SCHEMBL8336337

COc1ccccc1NC(=S)NC(C(=O)Nc1ccccc1C(C)C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.55
LMNA P02545 3/20 0.53
ALOX12 P18054 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
BLM P54132 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL6719258 0.87 KMT2A (0.51) LMNAALOX12HTTKMT2AALDH1A1
SCHEMBL6715738 0.87 KMT2A (0.53) LMNAALOX12HTTKMT2AALDH1A1
SCHEMBL6717393 0.84 ALDH1A1 (0.52) LMNAALOX12HTTKMT2AALDH1A1
SCHEMBL6718586 0.83 SMN1; SMN2 (0.54) LMNAALOX12HTTKMT2AALDH1A1
SCHEMBL6825413 0.81 MAPT (0.60) LMNAKMT2AALDH1A1MAPTTDP1
SCHEMBL6714000 0.81 ALDH1A1 (0.57) LMNAALOX12ALDH1A1NPSR1MAPT
SCHEMBL6727004 0.81 MAPT (0.51) LMNAALOX12HTTKMT2AALDH1A1
SCHEMBL6723832 0.80 SMN1; SMN2 (0.54) LMNAHTTKMT2AALDH1A1NPSR1
SCHEMBL6723442 0.80 MEN1 (0.58) LPAR1LMNAHTTKMT2AALDH1A1
SCHEMBL6715739 0.79 MEN1 (0.56) LMNAHTTKMT2AALDH1A1NPSR1

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