SCHEMBL7552273

SCHEMBL7552273

CCOc1c(Br)ccc(C(=O)c2cnoc2C2CC2)c1NC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
EPHX2 P34913 1/20 0.33
PDE2A O00408 1/20 0.32
ABL1 P00519 1/20 0.31
STAT1 P42224 1/20 0.31
CRACR2A Q9BSW2 2/20 0.31
THRB P10828 1/20 0.30
MAPT P10636 1/20 0.30
GSK3B P49841 1/20 0.30
NAMPT P43490 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9236395 0.83 DHODH (0.33) DHODHPDE2ATHRB
SCHEMBL9116678 0.82 PDE2A (0.33) DHODHEPHX2PDE2A
SCHEMBL7550904 0.82 DHODH (0.33) DHODHSTAT1CRACR2AMAPT
SCHEMBL7550647 0.81 DHODH (0.32) DHODHSTAT1CRACR2A
SCHEMBL7556083 0.80 DHODH (0.31) DHODH
SCHEMBL7558187 0.79 DHODH (0.35) DHODHEPHX2PDE2ASTAT1CRACR2A
SCHEMBL9113812 0.78 SMN1; SMN2 (0.33) DHODHPDE2AMAPTSMN1; SMN2
SCHEMBL8491895 0.77 STAT1 (0.36) DHODHEPHX2PDE2ASTAT1CRACR2A
SCHEMBL8887517 0.76 STAT1 (0.33) DHODHEPHX2PDE2ASTAT1CRACR2A
SCHEMBL9116703 0.76 STAT1 (0.36) DHODHEPHX2PDE2ASTAT1CRACR2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed