SCHEMBL7555550

SCHEMBL7555550

O=C(O)c1ccc(F)c(Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP1 P29466 1/20 0.44
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
GRIK1 P39086 3/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
CLCN2 P51788 1/20 0.39
ALB P02768 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL109128 0.81 TSHR (0.48) TSHRSMN1; SMN2CASP1KEAP1NFE2L2
SCHEMBL31094955 0.81 CYP1A2 (0.44) TSHRSMN1; SMN2CASP1KEAP1GRIK1
SCHEMBL29488311 0.79 TSHR (0.47) TSHRSMN1; SMN2CASP1KEAP1NFE2L2
SCHEMBL7558115 0.79 CES2 (0.50) TSHRSMN1; SMN2CASP1KEAP1GRIK1
SCHEMBL8997789 0.79 TSHR (0.52) TSHRSMN1; SMN2CASP1ALDH1A1TP53
SCHEMBL364951 0.79 TSHR (0.47) TSHRSMN1; SMN2CASP1KEAP1NFE2L2
SCHEMBL4513582 0.78 KEAP1 (0.47) TSHRSMN1; SMN2CASP1KEAP1NFE2L2
SCHEMBL27831622 0.78 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1ADRA2ACLCN2
SCHEMBL15878727 0.78 ALB (0.53) TSHRSMN1; SMN2CASP1KEAP1NFE2L2
SCHEMBL16122327 0.78 CYP1A2 (0.41) TSHRSMN1; SMN2CASP1KEAP1GRIK1

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