SCHEMBL7575732

SCHEMBL7575732

CSc1ccc(C(=O)c2cnoc2C2CC2)c(C[S+](C)[O-])c1Cl

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PDE2A O00408 1/20 0.31
DHODH Q02127 2/20 0.31

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
SCHEMBL7573986 0.88 PDE2A (0.33) PDE2ADHODH
SCHEMBL7572968 0.87 ALDH1A1 (0.34) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL7573447 0.86 PDE2A (0.31) PDE2ADHODH
SCHEMBL27286392 0.86 PDE2A (0.32) PDE2ADHODH
SCHEMBL7575155 0.85 PDE2A (0.33) PDE2ADHODH
SCHEMBL7574673 0.84 NAMPT (0.32) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL27316852 0.84 PDE2A (0.32) PDE2ADHODH
SCHEMBL9069997 0.82 RAB9A (0.36) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL7573455 0.82 DHODH (0.34) HPGDPDE2ADHODH
SCHEMBL7577500 0.82 PDE2A (0.32) 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