SCHEMBL8345950

SCHEMBL8345950

COc1ccc(NC(=S)NC(CC(C)C)C(=O)Nc2c(C)cccc2C)c(N=O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.43
CAPN1 P07384 2/20 0.41
TSHR P16473 1/20 0.41
CTSL P07711 5/20 0.40
CTSS P25774 5/20 0.40
CTSK P43235 5/20 0.40
LPAR1 Q92633 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6714162 0.84 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL6714168 0.84 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL8347897 0.83 KMT2A (0.44) MEN1KMT2ASMN1; SMN2LPAR1ALDH1A1
SCHEMBL6713989 0.76 KMT2A (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8346261 0.76 KMT2A (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6718995 0.74 MEN1 (0.45) ANPEPMEN1KMT2ASMN1; SMN2CAPN1
SCHEMBL6717170 0.73 STAT3 (0.55) ANPEPMEN1KMT2ASMN1; SMN2CAPN1
SCHEMBL6717319 0.73 ALDH1A1 (0.54) ANPEPSMN1; SMN2CAPN1ALDH1A1
SCHEMBL6718999 0.72 MEN1 (0.43) ANPEPMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8345944 0.72 MEN1 (0.43) ANPEPMEN1KMT2ASMN1; SMN2ALDH1A1

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-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed