SCHEMBL9079443

SCHEMBL9079443

NC(=O)CCC(=O)NCc1cscn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
PKM P14618 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GPR142 Q7Z601 3/20 0.38
TPSAB1 Q15661 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CTSK P43235 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL30223118 0.84 KDM4C (0.47) KDM4CPKMADORA2AADORA1GPR142
SCHEMBL4779863 0.78 LMNA (0.44) KDM4CPKMADORA2AADORA1GPR142
SCHEMBL2514575 0.78 PKM (0.43) KDM4CPKMGPR142KDM4EMAPK1
SCHEMBL7281500 0.77 EPHX2 (0.52) CTSK
SCHEMBL4779862 0.76 PKM (0.42) KDM4CPKMGPR142KDM4EMAPK1
SCHEMBL17025004 0.75 KDM4C (0.51) KDM4CPKMADORA2AADORA1GPR142
Malonic Acid SCHEMBL6672041 0.74 KDM4C (0.39) KDM4CPKMADORA2AADORA1GPR142
SCHEMBL8077417 0.74 HPGD (0.46) KDM4CADORA2AADORA1GPR142KDM4E
SCHEMBL6099838 0.74 NPSR1 (0.52) KDM4CPKMADORA2AADORA1GPR142
SCHEMBL9841065 0.74 KDM4C (0.40) KDM4CPKMADORA2AADORA1GPR142

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
US-5554634-A HYPOTENSIVE BIO-MEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-09-10 US disclosed