SCHEMBL4295539

SCHEMBL4295539

FC(F)(F)c1ccnc(OCc2ccccc2)c1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.37
AR P10275 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PPIA P62937 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL4287345 0.86 RXRA (0.41) RXRARXRBRXRGL3MBTL1CNR1
SCHEMBL4288236 0.79 HTR6 (0.30)
SCHEMBL4295097 0.78 RXRA (0.36) RXRARXRBRXRGL3MBTL1CNR1
SCHEMBL17260906 0.73 FEN1 (0.41) RXRARXRBRXRGARMRGPRX4
SCHEMBL4283825 0.73 L3MBTL1 (0.47) RXRARXRBRXRGL3MBTL1MRGPRX4
SCHEMBL23835548 0.71 RXRA (0.47) RXRARXRBRXRGL3MBTL1MRGPRX4
SCHEMBL29921217 0.71 RXRA (0.47) RXRARXRBRXRGL3MBTL1MRGPRX4
Benzyl Bromide SCHEMBL17260893 0.71 FEN1 (0.39) RXRARXRBRXRGARMRGPRX4
SCHEMBL4282756 0.71 HTR6 (0.32) AR
SCHEMBL24215198 0.70 L3MBTL1 (0.53) L3MBTL1CNR1ACHECNR2TSHR

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