SCHEMBL7574673

SCHEMBL7574673

CSc1cc(C[S+](C)[O-])ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.32
PDE2A O00408 1/20 0.32
DHODH Q02127 3/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
EPHX2 P34913 1/20 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
SCHEMBL27392041 0.87 DHODH (0.34) NAMPTPDE2ADHODHEPHX2
SCHEMBL27289386 0.85 NAMPT (0.33) NAMPTPDE2ADHODHEPHX2
SCHEMBL27293235 0.85 DHODH (0.35) NAMPTPDE2ADHODHEPHX2
SCHEMBL7575705 0.85 NAMPT (0.33) NAMPTPDE2ADHODHALDH1A1HPGD
SCHEMBL7575665 0.85 NAMPT (0.35) NAMPTPDE2ADHODHEPHX2
SCHEMBL7573692 0.85 DHODH (0.34) NAMPTPDE2ADHODHALDH1A1HPGD
SCHEMBL7575732 0.84 ALDH1A1 (0.32) PDE2ADHODHALDH1A1HPGDCASP3
SCHEMBL7576276 0.82 HPGD (0.33) NAMPTPDE2ADHODHALDH1A1HPGD
SCHEMBL8888473 0.80 DHODH (0.36) PDE2ADHODHALDH1A1HPGDCASP3
SCHEMBL7573447 0.80 PDE2A (0.31) PDE2ADHODH

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