SCHEMBL7576276

SCHEMBL7576276

CSc1ccc(C(=O)c2cnoc2C2CC2)c(C[S+](C)[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
PDE2A O00408 1/20 0.33
PKM P14618 1/20 0.32
DHODH Q02127 3/20 0.32
NAMPT P43490 1/20 0.31
MCL1 Q07820 1/20 0.31
TSHR P16473 1/20 0.30
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8494970 0.88 HPGD (0.35) HPGDPDE2APKMDHODHNAMPT
SCHEMBL7576529 0.86 HPGD (0.34) HPGDPDE2APKMDHODHNAMPT
SCHEMBL27392041 0.86 DHODH (0.34) PDE2ADHODHNAMPTEPHX2
SCHEMBL27295039 0.85 DHODH (0.33) PDE2ADHODHNAMPTEPHX2
SCHEMBL7575311 0.85 DHODH (0.33) HPGDPDE2ADHODHNAMPTEPHX2
SCHEMBL7575471 0.85 DHODH (0.33) PDE2ADHODHNAMPTEPHX2
SCHEMBL27285278 0.85 DHODH (0.35) HPGDPDE2ADHODHNAMPTTSHR
SCHEMBL7575001 0.83 DHODH (0.35) PDE2ADHODHNAMPTEPHX2
SCHEMBL7574723 0.83 DHODH (0.46) PDE2ADHODHEPHX2MEN1KMT2A
SCHEMBL8891282 0.83 HPGD (0.36) HPGDALDH1A1MEN1KMT2A

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