SCHEMBL7576529

SCHEMBL7576529

CSCc1cc(SC)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.34
DHODH Q02127 3/20 0.34
PKM P14618 1/20 0.34
PDE2A O00408 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 2/20 0.31
CASP3 P42574 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
S100A4 P26447 1/20 0.31
NAMPT P43490 1/20 0.30
MCL1 Q07820 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 0.91 HPGD (0.35) HPGDDHODHPKMPDE2ATSHR
SCHEMBL7573639 0.86 PTGDR2 (0.35) HPGDDHODHPDE2ASMN1; SMN2RAB9A
SCHEMBL7573992 0.86 DHODH (0.36) HPGDDHODHPDE2AALDH1A1S100A4
SCHEMBL6558596 0.86 DHODH (0.34) HPGDDHODHPDE2AS100A4NAMPT
SCHEMBL8891282 0.86 HPGD (0.36) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7576276 0.86 HPGD (0.33) HPGDDHODHPKMPDE2ATSHR
SCHEMBL7577691 0.85 DHODH (0.36) HPGDDHODHPDE2AALDH1A1SMN1; SMN2
SCHEMBL7573020 0.84 DHODH (0.47) DHODHMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8891772 0.84 KMT2A (0.35) HPGDDHODHPKMALDH1A1MEN1
SCHEMBL8890902 0.84 RAB9A (0.39) HPGDALDH1A1MEN1KMT2ASMN1; SMN2

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