SCHEMBL7577500

SCHEMBL7577500

C[S+]([O-])Cc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Br

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.32
DHODH Q02127 3/20 0.32
NAMPT P43490 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
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
SCHEMBL7573986 0.89 PDE2A (0.33) PDE2ADHODHNAMPTMEN1KMT2A
SCHEMBL9117028 0.89 PDE2A (0.33) PDE2ADHODHNAMPTEPHX2
SCHEMBL7575155 0.88 PDE2A (0.33) PDE2ADHODHNAMPTMEN1KMT2A
SCHEMBL27294090 0.88 PDE2A (0.34) PDE2ADHODHNAMPTMEN1KMT2A
SCHEMBL7573455 0.88 DHODH (0.34) PDE2ADHODHNAMPTMEN1KMT2A
SCHEMBL27288096 0.87 PDE2A (0.32) PDE2ADHODHNAMPT
SCHEMBL7573447 0.86 PDE2A (0.31) PDE2ADHODH
SCHEMBL7576281 0.85 PDE4D (0.33) PDE2ADHODHEPHX2
SCHEMBL7576312 0.84 DHODH (0.32) PDE2ADHODHMEN1KMT2A
SCHEMBL7573255 0.83 DHODH (0.32) PDE2ADHODHMEN1KMT2A

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