SCHEMBL7550772

SCHEMBL7550772

CNc1cc(Br)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
POLB P06746 2/20 0.33
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 1/20 0.33
CRACR2A Q9BSW2 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL7555049 0.85 STAT3 (0.40) DHODHNAALAD2PDE2ASMN1; SMN2HTT
SCHEMBL7559110 0.85 DHODH (0.38) DHODHNAALAD2POLBPDE2ATAS1R3
SCHEMBL8654367 0.84 ALDH1A1 (0.38) DHODHPOLBHPGDMAPTALDH1A1
SCHEMBL8492072 0.84 DHODH (0.38) DHODHPOLBPDE2ATAS1R3TAS1R1
SCHEMBL7550411 0.83 DHODH (0.52) DHODHCRACR2ASMN1; SMN2HTTRAB9A
SCHEMBL8492226 0.81 HTT (0.39) DHODHPDE2AHTTLMNAHPGD
SCHEMBL8747845 0.81 FLT1 (0.36) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL7556688 0.81 DHODH (0.54) DHODHPDE2AEPHX2
SCHEMBL6054844 0.80 DHODH (0.35) DHODHPOLBPDE2ATAS1R3TAS1R1

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