SCHEMBL7426522

SCHEMBL7426522

O=C(O)CCN1CC(=O)N(C(S)CCc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ENPP2 Q13822 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
KEAP1 Q14145 1/20 0.40
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 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
SCHEMBL7436003 0.93 HDAC6 (0.42) MAPTMEN1KMT2AUSP2L3MBTL1
SCHEMBL7428792 0.88 CYP2D6 (0.45) KMT2AENPP2POLBNPSR1
SCHEMBL7432645 0.83 ENPP2 (0.47) MAPTMEN1KMT2AUSP2L3MBTL1
SCHEMBL7435811 0.82 ACHE (0.41) MAPTMEN1KMT2AUSP2L3MBTL1
SCHEMBL7445702 0.79 ACHE (0.40) MAPTMEN1KMT2AUSP2L3MBTL1
SCHEMBL7426519 0.78 MME (0.42) MAPTMEN1KMT2AUSP2L3MBTL1
SCHEMBL7428456 0.78 PLA2G10 (0.45) KDM4EENPP2SMN1; SMN2POLBALDH1A1
SCHEMBL7440468 0.76 POLB (0.37) MAPTMEN1KMT2AUSP2L3MBTL1
SCHEMBL7446529 0.76 ACE (0.41) MEN1KMT2AHTTTSHRSMN1; SMN2
SCHEMBL7440735 0.75 L3MBTL1 (0.42) MEN1KMT2AL3MBTL1GAAENPP2

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