SCHEMBL7556110

SCHEMBL7556110

CCOC(=O)c1ccc(Br)c(Br)c1N(CC)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RECQL P46063 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7559544 0.86 MEN1 (0.42) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7556733 0.86 MEN1 (0.43) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7552015 0.83 HSD17B10 (0.36) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7553645 0.81 MAPT (0.37) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7557970 0.79 TSHR (0.41) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7554583 0.77 ALDH1A1 (0.40) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7557028 0.77 MAPT (0.43) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7550506 0.76 TSHR (0.47) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7553893 0.75 CA1 (0.41) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7550819 0.75 TSHR (0.39) TSHRHSD17B10ALDH1A1CA12CA1

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