SCHEMBL7556089

SCHEMBL7556089

CCNc1c(C(=O)c2cnoc2C2CC2)ccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
CRACR2A Q9BSW2 3/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
PDE10A Q9Y233 3/20 0.33
EPHX2 P34913 2/20 0.33
NAMPT P43490 1/20 0.32
PDE2A O00408 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
CHRNA7 P36544 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
CYP11B2 P19099 3/20 0.31
CYP11B1 P15538 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
SCHEMBL7558174 0.89 DHODH (0.36) DHODHCYP11B2CYP11B1
SCHEMBL7551780 0.87 DHODH (0.40) DHODHCRACR2ATAS1R3TAS1R1TAS1R2
SCHEMBL7553442 0.87 DHODH (0.35) DHODHCRACR2ATAS1R3TAS1R1TAS1R2
SCHEMBL7558187 0.82 DHODH (0.35) DHODHCRACR2ATAS1R3TAS1R1TAS1R2
SCHEMBL7550407 0.81 DHODH (0.38) DHODHCRACR2APDE10AEPHX2CHRNA7
SCHEMBL7559589 0.80 NPC1 (0.36) DHODHTAS1R3TAS1R1TAS1R2
SCHEMBL7555059 0.79 HPGD (0.35) DHODHTAS1R3TAS1R1TAS1R2NAMPT
SCHEMBL7556208 0.79 STAT3 (0.38) DHODH
SCHEMBL8491101 0.77 DHODH (0.37) DHODHCRACR2ATAS1R3TAS1R1TAS1R2
SCHEMBL7555044 0.77 DHODH (0.35) DHODHCRACR2ATAS1R3TAS1R1TAS1R2

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-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
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