SCHEMBL7559110

SCHEMBL7559110

CNc1cc(I)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.34
PDE2A O00408 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
EPHX2 P34913 2/20 0.33
CRACR2A Q9BSW2 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP3 P42574 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SENP8 Q96LD8 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
SCHEMBL7550860 0.86 DHODH (0.39) DHODHNAALAD2PDE2ATAS1R3TAS1R1
SCHEMBL7550772 0.85 DHODH (0.38) DHODHNAALAD2PDE2ATAS1R3TAS1R1
SCHEMBL7555049 0.85 STAT3 (0.40) DHODHNAALAD2PDE2ASMN1; SMN2MEN1
SCHEMBL7550411 0.83 DHODH (0.52) DHODHCRACR2ALMNASMN1; SMN2MEN1
SCHEMBL9116187 0.81 DHODH (0.38) DHODHNAALAD2PDE2ATAS1R3TAS1R1
SCHEMBL7556688 0.81 DHODH (0.54) DHODHPDE2AEPHX2
SCHEMBL9115225 0.79 DHODH (0.34) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL27513121 0.78 DHODH (0.46) DHODHNAALAD2PDE2ATAS1R3TAS1R1
SCHEMBL7554572 0.78 DHODH (0.35) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL7553192 0.76 L3MBTL1 (0.34) DHODHPDE2AKMT2A

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-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
CN-1137271-A 4-benzoylisoxazoles and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-12-04 CN 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