SCHEMBL1768424

SCHEMBL1768424

FC(F)(F)Oc1cccc(OCBr)c1I

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SCN9A Q15858 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
MPL P40238 1/20 0.31
CETP P11597 1/20 0.31
GPR3 P46089 1/20 0.30

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
SCHEMBL18190386 0.79 PTPN1 (0.35) RXRARXRBRXRGSCN9AHDAC3
SCHEMBL18190400 0.77 RIPK1 (0.44)
SCHEMBL2311679 0.73 MPL (0.37) SCN9AKDM4EMPLGPR3
SCHEMBL18190464 0.72 MAPT (0.38) RXRARXRBRXRGKDM4EMPL
SCHEMBL18189544 0.72 GRIA1 (0.42) KDM4EMPL
SCHEMBL18190524 0.71 KCNK3 (0.48) KDM4E
SCHEMBL17848349 0.67 RXRA (0.46) RXRARXRBRXRGSCN9AKDM4E
SCHEMBL696298 0.67 KCNK3 (0.33) RXRARXRBRXRGSCN9AHDAC3
SCHEMBL4573178 0.67 CETP (0.44) RXRACETPGPR3
SCHEMBL4654446 0.66 RXRA (0.47) RXRARXRBRXRGSCN9AKDM4E

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-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 WO disclosed