SCHEMBL4295097

SCHEMBL4295097

Fc1c(OCc2ccccc2)ncc(C(F)(F)F)c1CBr

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
FEN1 P39748 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
AR P10275 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 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
SCHEMBL4284736 0.88 RXRA (0.40) RXRARXRBRXRGMRGPRX4FEN1
SCHEMBL6741566 0.81 L3MBTL1 (0.43) RXRARXRBRXRGMRGPRX4FEN1
SCHEMBL4295119 0.80
SCHEMBL4295539 0.78 RXRA (0.38) RXRARXRBRXRGMRGPRX4L3MBTL1
SCHEMBL4288063 0.77 L3MBTL1 (0.40) RXRARXRBRXRGMRGPRX4FEN1
SCHEMBL24968170 0.73 MAOB (0.43) RXRARXRBRXRGMRGPRX4L3MBTL1
SCHEMBL6740837 0.71 L3MBTL1 (0.42) RXRARXRBRXRGMRGPRX4L3MBTL1
SCHEMBL18338730 0.70 PIN1 (0.56) RXRARXRBRXRGMRGPRX4L3MBTL1
SCHEMBL29921217 0.69 RXRA (0.47) RXRARXRBRXRGMRGPRX4L3MBTL1
SCHEMBL23835548 0.69 RXRA (0.47) RXRARXRBRXRGMRGPRX4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009158258-A1 HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-30 WO disclosed