SCHEMBL7550221

SCHEMBL7550221

CCOc1c(Br)ccc(C(=O)OC)c1N(C)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL7550792 0.86 KMT2A (0.37) KMT2AKDM4EMEN1TSHRHSD17B10
SCHEMBL7556623 0.81 KMT2A (0.35) KMT2AALDH1A1L3MBTL1TSHRHSD17B10
SCHEMBL7557946 0.79 TDP1 (0.38) KMT2AALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7559544 0.77 MEN1 (0.42) KMT2AALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL17559391 0.76 KMT2A (0.44) KMT2AALDH1A1MEN1TSHRHSD17B10
SCHEMBL7559195 0.74 GAA (0.31) KMT2AGAA
SCHEMBL7559191 0.74 GAA (0.31) KMT2AGAA
SCHEMBL7557951 0.73 HSD17B10 (0.40) KMT2AALDH1A1MEN1TSHRHSD17B10
SCHEMBL7556083 0.73 DHODH (0.31)
SCHEMBL21828849 0.71 TSHR (0.43) KMT2AALDH1A1KDM4EMEN1TSHR

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-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
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