SCHEMBL4735668

SCHEMBL4735668

[CH2]c1c(F)cc(OC(F)F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CCR6 P51684 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
DRD1 P21728 2/20 0.31
ALOX15 P16050 1/20 0.31
GFER P55789 1/20 0.31
ADAM17 P78536 1/20 0.31
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL17365726 0.80 GRIN1 (0.34) MEN1ALDH1A1LMNAHSP90AA1PKM
SCHEMBL20270351 0.76 ALOX15 (0.34) MEN1ALDH1A1LMNAHSP90AA1PKM
SCHEMBL20270866 0.76 DRD1 (0.32) DRD1
SCHEMBL12474304 0.76 ALOX15 (0.39) MEN1ALDH1A1LMNAHSP90AA1PKM
SCHEMBL16950691 0.75 DRD1 (0.33) MEN1ALDH1A1LMNAHSP90AA1PKM
SCHEMBL27982688 0.73 POLB (0.36) MEN1ALDH1A1LMNAKMT2APDE2A
SCHEMBL12474327 0.73 APP (0.31)
SCHEMBL14596841 0.71 ALOX15 (0.42) MEN1ALDH1A1LMNAHSP90AA1PKM
SCHEMBL14843593 0.71 TAAR1 (0.34)
SCHEMBL4189560 0.71 MEN1 (0.36) MEN1ALDH1A1LMNAPKMHPGD

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-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP claimed