SCHEMBL7575665

SCHEMBL7575665

C[S+]([O-])Cc1ccc(C(=O)c2cnoc2C2CC2)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.35
PDE2A O00408 1/20 0.33
DHODH Q02127 3/20 0.33
EPHX2 P34913 1/20 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
SCHEMBL27392041 0.89 DHODH (0.34) NAMPTPDE2ADHODHEPHX2
SCHEMBL7575705 0.87 NAMPT (0.33) NAMPTPDE2ADHODHEPHX2
SCHEMBL27293235 0.87 DHODH (0.35) NAMPTPDE2ADHODHEPHX2
SCHEMBL27289386 0.87 NAMPT (0.33) NAMPTPDE2ADHODHEPHX2
SCHEMBL7574673 0.85 NAMPT (0.32) NAMPTPDE2ADHODHEPHX2
SCHEMBL9117028 0.85 PDE2A (0.33) NAMPTPDE2ADHODHEPHX2
SCHEMBL7575471 0.83 DHODH (0.33) NAMPTPDE2ADHODHEPHX2
SCHEMBL8492144 0.83 DHODH (0.34) NAMPTPDE2ADHODHEPHX2
SCHEMBL7575170 0.83 PDE2A (0.33) NAMPTPDE2ADHODHEPHX2
SCHEMBL7573501 0.82 DHODH (0.34) NAMPTPDE2ADHODH

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