SCHEMBL8525219

SCHEMBL8525219

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2ccnn2)c(OC)c1SC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.33
HCRTR1 O43613 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.30

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
SCHEMBL8525222 0.90 HCRTR2 (0.36) HCRTR2HCRTR1KDM4EMEN1USP2
SCHEMBL8525066 0.90 HCRTR2 (0.32) HCRTR2HCRTR1KDM4EMEN1USP2
SCHEMBL8524833 0.88 KDM4E (0.34) HCRTR2HCRTR1KDM4EMEN1USP2
SCHEMBL8524106 0.86 L3MBTL1 (0.33) HCRTR2KDM4EMEN1USP2LMNA
SCHEMBL8525068 0.83 HCRTR2 (0.35) HCRTR2HCRTR1KDM4EMEN1USP2
SCHEMBL8524835 0.83 HCRTR2 (0.34) HCRTR2HCRTR1KDM4EMEN1USP2
SCHEMBL8490872 0.82 KDM4E (0.33) HCRTR2HCRTR1KDM4EMEN1USP2
SCHEMBL8525657 0.81 HCRTR2 (0.42) HCRTR2HCRTR1KDM4EMEN1USP2
SCHEMBL8490879 0.80 ALDH1A1 (0.38) HCRTR2HCRTR1KDM4EMEN1USP2
SCHEMBL8525706 0.79 LMNA (0.37) HCRTR2HCRTR1LMNAMAPT

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-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed