SCHEMBL8202901

SCHEMBL8202901

C=C(O)c1nc2sc(C)c(C(=O)OCC)c2c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.65
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 4/20 0.65
GAA P10253 3/20 0.65
POLB P06746 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
TSHR P16473 3/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42

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
SCHEMBL13343391 0.91 HPGD (0.78) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL8189657 0.90 HPGD (0.65) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL13343590 0.90 ALDH1A1 (0.68) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL689137 0.79 HPGD (1.00) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL8196603 0.78 HPGD (0.51) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL8197427 0.77 HPGD (0.63) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL8199788 0.77 HPGD (0.76) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL8199823 0.74 HPGD (0.54) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL8197913 0.74 HPGD (0.76) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL8203415 0.74 ALDH1A1 (0.66) HPGDALDH1A1KDM4EGAAPOLB

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-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed