SCHEMBL7573013

SCHEMBL7573013

CCOC(=O)c1noc(C2CC2)c1C(=O)c1cccc(Br)c1CSC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
HCRTR2 O43614 2/20 0.33
ALDH1A1 P00352 5/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7575100 0.88 NR1H4 (0.32)
SCHEMBL8814793 0.87 HTT (0.36) KDM4ELMNATSHRMAPTMEN1
SCHEMBL7576144 0.87 HTT (0.36) KDM4ELMNATSHRMAPTMEN1
SCHEMBL8813481 0.86 HTT (0.39) KDM4ELMNATSHRMAPTHTT
SCHEMBL7574484 0.86 HTT (0.35) KDM4ELMNATSHRMAPTMEN1
SCHEMBL9116296 0.85 TSHR (0.36) KDM4ELMNATSHRMAPTMEN1
SCHEMBL6292090 0.82 HTT (0.39) KDM4ELMNATSHRMAPTMEN1
SCHEMBL7581819 0.81 MAPT (0.36) KDM4ELMNATSHRMAPTMEN1
SCHEMBL8814798 0.80 HTT (0.36) KDM4ELMNATSHRMAPTHSD17B10
SCHEMBL8747816 0.80 ELANE (0.42) KDM4ELMNATSHRMAPTMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP claimed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP claimed
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed