SCHEMBL27642811

SCHEMBL27642811

COC(=O)c1ccc2c(c1)C(=O)c1c(CCBr)cccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
TTR P02766 2/20 0.40
CASP3 P42574 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.39
PTPRF P10586 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL4922840 0.90 PTPRC (0.43) PTPRCSMN1; SMN2MAPTNPC1LMNA
SCHEMBL4920271 0.86 PTGS2 (0.44) PTPRCSMN1; SMN2MAPTNPC1LMNA
SCHEMBL4918870 0.85 MAPT (0.45) PTPRCSMN1; SMN2MAPTNPC1LMNA
SCHEMBL4920472 0.83 RXRA (0.43) PTPRCSMN1; SMN2MAPTNPC1LMNA
SCHEMBL4915494 0.82 MAPT (0.48) PTPRCSMN1; SMN2MAPTNPC1LMNA
SCHEMBL4919949 0.79 FGFR1 (0.51) PTPRCSMN1; SMN2MAPTTTRCASP3
SCHEMBL4921071 0.75 TTR (0.61) PTPRCSMN1; SMN2MAPTNPC1LMNA
SCHEMBL27860059 0.75 MAPT (0.44) PTPRCSMN1; SMN2MAPTNPC1LMNA
SCHEMBL11846453 0.75 PTPRC (0.60) PTPRCSMN1; SMN2MAPTNPC1LMNA
SCHEMBL2265496 0.74 TTR (0.62) PTPRCSMN1; SMN2MAPTNPC1LMNA

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
CN-1842517-A Fluorene derivatives ASTELLAS PHARMA INC (JP) 2006-10-04 CN disclosed