SCHEMBL7435831

SCHEMBL7435831

CCN(CC)N1CC(=O)N(C(S)CCc2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
POLB P06746 1/20 0.38
MC4R P32245 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.34
MCL1 Q07820 1/20 0.34
ACE P12821 1/20 0.34
HSD17B2 P37059 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
SLC1A2 P43004 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL7432645 0.76 ENPP2 (0.47) POLBMEN1KMT2AUSP2GAA
SCHEMBL7435811 0.76 ACHE (0.41) ACHEPOLBMEN1KMT2AUSP2
SCHEMBL7445702 0.75 ACHE (0.40) ACHEPOLBMEN1KMT2AUSP2
SCHEMBL7426794 0.74 POLB (0.37) POLBMEN1KMT2AUSP2GAA
SCHEMBL7440468 0.74 POLB (0.37) POLBMEN1KMT2AUSP2GAA
SCHEMBL7446529 0.74 ACE (0.41) POLBMEN1KMT2AHTTTSHR
SCHEMBL7428792 0.73 CYP2D6 (0.45) POLBKMT2AACENPSR1
SCHEMBL7444733 0.73 ALDH1A1 (0.40) ACHEPOLBMEN1KMT2AUSP2
SCHEMBL7425893 0.72 KMT2A (0.44) POLBMEN1KMT2AHTTTSHR
SCHEMBL7436715 0.72 SIGMAR1 (0.37) POLBMEN1KMT2AUSP2GAA

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
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed