SCHEMBL7575170

SCHEMBL7575170

C[S+]([O-])Cc1c(Br)cccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
DHODH Q02127 3/20 0.33
NAMPT P43490 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 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
SCHEMBL7575287 0.90 NAMPT (0.31) PDE2ADHODHNAMPT
SCHEMBL9117028 0.87 PDE2A (0.33) PDE2ADHODHNAMPTEPHX2
SCHEMBL7575001 0.84 DHODH (0.35) PDE2ADHODHNAMPTTAS1R3TAS1R1
SCHEMBL7574654 0.83 DHODH (0.33) PDE2ADHODHNAMPTTAS1R3TAS1R1
SCHEMBL7574755 0.83 DHODH (0.33) PDE2ADHODHNAMPTTAS1R3TAS1R1
SCHEMBL7577500 0.83 PDE2A (0.32) PDE2ADHODHNAMPTEPHX2
SCHEMBL7575665 0.83 NAMPT (0.35) PDE2ADHODHNAMPTEPHX2
SCHEMBL7575471 0.81 DHODH (0.33) PDE2ADHODHNAMPTEPHX2
SCHEMBL8815055 0.81 TAS1R3 (0.34) PDE2ADHODHNAMPTTAS1R3TAS1R1
SCHEMBL7573986 0.80 PDE2A (0.33) PDE2ADHODHNAMPTEPHX2

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 8 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
CN-1039229-C Herbicides PHONE POULENC AGRICULTURE LTD (GB) 1998-07-22 CN claimed
CN-1091739-A Weedicide PHONE POULENC AGRICULTURE LIMI (GB) 1994-09-07 CN 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
CN-1039229-C Herbicides PHONE POULENC AGRICULTURE LTD (GB) 1998-07-22 CN 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