SCHEMBL8199823

SCHEMBL8199823

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.54
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 5/20 0.54
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TSHR P16473 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ATM Q13315 2/20 0.43
HTT P42858 1/20 0.43
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
SCHEMBL8189420 0.91 HPGD (0.54) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL8199075 0.91 HPGD (0.56) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL13343493 0.90 HPGD (0.67) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL8198100 0.82 KDM4E (0.51) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL8200549 0.77 HPGD (0.56) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL8188235 0.76 HPGD (0.76) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL11737571 0.76 HPGD (0.67) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL11498454 0.75 HPGD (0.66) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL11479720 0.75 HPGD (0.66) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL8202901 0.74 HPGD (0.65) HPGDALDH1A1KDM4EGAACYP1A2

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