SCHEMBL7072707

SCHEMBL7072707

O=C(O)Oc1c(Br)c2ccccc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
MAPK10 P53779 1/20 0.54
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FABP4 P15090 2/20 0.47
PPARG P37231 9/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
PTGER4 P35408 1/20 0.43
F10 P00742 1/20 0.43
FEN1 P39748 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6300362 0.83 MAPT (0.57) MAPTMAPK10HDAC1HDAC8HDAC6
SCHEMBL24482841 0.80 PPARG (0.56) MAPTMAPK10HDAC1HDAC8HDAC6
SCHEMBL6959350 0.76 HTR6 (0.51) MAPTPPARGLMNATP53
SCHEMBL24482780 0.74 CCR2 (0.65) MAPTMAPK10HDAC1HDAC8HDAC6
SCHEMBL24482668 0.72 MAPT (0.55) MAPTMAPK10FABP4PPARGLMNA
SCHEMBL24482672 0.72 MAPT (0.55) MAPTMAPK10HDAC1HDAC8HDAC6
SCHEMBL4210031 0.72 THRA (0.60) MAPTMAPK10PPARG
SCHEMBL27746336 0.72 MAPT (0.55) MAPTMAPK10HDAC1HDAC8HDAC6
SCHEMBL24482667 0.72 MAPT (0.54) MAPTMAPK10HDAC1HDAC8HDAC6
SCHEMBL24483342 0.71 PPARG (0.56) MAPTMAPK10HDAC1HDAC8HDAC6

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
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP claimed