SCHEMBL8747754

SCHEMBL8747754

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A4 P31645 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PLA2G2A P14555 1/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3437085 0.84 KDM4E (0.42) KMT2AKDM4EALDH1A1SLC6A4HSD17B10
SCHEMBL8747769 0.83 KMT2A (0.43) KMT2APOLBMCOLN3KDM4EALDH1A1
SCHEMBL8748143 0.83 POLB (0.50) KMT2APOLBMCOLN3KDM4EALDH1A1
SCHEMBL8747756 0.83 CFTR (0.53) KMT2APOLBMCOLN3KDM4EALDH1A1
SCHEMBL8747734 0.81 KMT2A (0.57) KMT2APOLBKDM4EALDH1A1HSD17B10
SCHEMBL12489097 0.79 FFAR4 (0.47) KDM4EALDH1A1MAPTHPGDSLC6A4
SCHEMBL16958853 0.77 SLC6A4 (0.49) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL7691521 0.77 KMT2A (0.64) KMT2APOLBMCOLN3KDM4EALDH1A1
SCHEMBL7696307 0.77 ALDH1A1 (0.43) POLBMCOLN3KDM4EALDH1A1MAPT
SCHEMBL8747757 0.77 POLB (0.47) KMT2APOLBMCOLN3KDM4EALDH1A1

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