SCHEMBL7558733

SCHEMBL7558733

CCN(c1ccccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PTK2 Q05397 2/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 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
SCHEMBL7559631 0.86 TP53 (0.39) KMT2AALDH1A1TP53GAAMAPT
SCHEMBL7557917 0.86 PER2 (0.34) PTK2DHODH
SCHEMBL7555638 0.86 HRH4 (0.35) KMT2AKEAP1NFE2L2SMN1; SMN2DHODH
SCHEMBL7687350 0.85 L3MBTL1 (0.47) KMT2AL3MBTL1ALDH1A1SMN1; SMN2TP53
SCHEMBL7557220 0.85 DHODH (0.43) KMT2AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL7684713 0.84 DHODH (0.35) KMT2AL3MBTL1ALDH1A1SMN1; SMN2TP53
SCHEMBL7554893 0.83 GHSR (0.36) KMT2AKEAP1NFE2L2TP53GAA
SCHEMBL7685106 0.83 SMN1; SMN2 (0.34) KMT2AL3MBTL1KEAP1NFE2L2ALDH1A1
SCHEMBL8607672 0.80 L3MBTL1 (0.34) KMT2AL3MBTL1KEAP1NFE2L2ALDH1A1
SCHEMBL7550776 0.80 DHODH (0.35) KMT2AALDH1A1SMN1; SMN2TP53GAA

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-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