SCHEMBL8747769

SCHEMBL8747769

COC(=O)c1ccc(Br)cc1CN(C)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
NR4A2 P43354 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 3/20 0.39
GAA P10253 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
MEN1 O00255 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PTGS2 P35354 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL38663198 0.84 NR4A2 (0.47) KMT2ANR4A2ALDH1A1HPGDMAPT
SCHEMBL8748143 0.83 POLB (0.50) KMT2ANR4A2KDM4EALDH1A1HPGD
SCHEMBL8747754 0.83 KMT2A (0.43) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL8747734 0.81 KMT2A (0.57) KMT2AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL19869977 0.81 NR4A2 (0.44) KMT2ANR4A2KDM4EALDH1A1HPGD
SCHEMBL8747756 0.80 CFTR (0.53) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL3712715 0.79 NR4A2 (0.50) KMT2ANR4A2KDM4EALDH1A1HPGD
SCHEMBL30752924 0.77 NR4A2 (0.49) NR4A2KDM4EALDH1A1HPGDMAPT
SCHEMBL16304136 0.77 NR4A2 (0.49) KMT2ANR4A2KDM4EALDH1A1HPGD
SCHEMBL275285 0.77 NR4A2 (0.49) NR4A2KDM4EALDH1A1HPGDMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148385-A 4-benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-23 CN disclosed
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP disclosed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO disclosed