SCHEMBL8932498

SCHEMBL8932498

COc1ccc(CSC2CN=C(OCCN(C)C(=O)OCc3ccc([N+](=O)[O-])cc3)NC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC2A1 P11166 1/20 0.37
KCNH2 Q12809 2/20 0.36
HTT P42858 2/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL8932491 0.78 LMNA (0.39) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL10508944 0.74 GAA (0.46) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL15618793 0.70 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL3370576 0.68 MEN1 (0.48) ALDH1A1BCHEACHEMEN1KMT2A
SCHEMBL8447449 0.67 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL991664 0.67 KCNH2 (0.49) GAABCHEACHEKCNH2
SCHEMBL14415498 0.67 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL991790 0.67 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2GAAHTT
SCHEMBL9126983 0.66 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL15618795 0.66 ALDH1A1 (0.51) ALDH1A1GAAHTTCRHBPCRHR2

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-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed