SCHEMBL18570397

SCHEMBL18570397

O=Cc1ccc(Cl)cc1OCCCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
SCN8A Q9UQD0 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MAOB P27338 2/20 0.38
S1PR4 O95977 2/20 0.38
TRPM5 Q9NZQ8 1/20 0.38
PDE2A O00408 2/20 0.38
LMNA P02545 2/20 0.38
ERN1 O75460 1/20 0.37
MAPK1 P28482 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
SCHEMBL7927301 0.84 ALDH1A1 (0.57) TDP1ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL28657572 0.84 APP (0.50) APPSCN8ASCN10AALDH1A1HTT
SCHEMBL20182409 0.78 MAPT (0.45) TDP1ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL30933896 0.77 ALDH1A1 (0.49) TDP1ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL28916081 0.77 SMN1; SMN2 (0.44) TDP1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL18725098 0.77 MAOB (0.51) APPTDP1HPGDKCNH2MAOB
SCHEMBL20182410 0.75 MAPT (0.48) TDP1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL18570626 0.75 SCN8A (0.46) APPSCN8ASCN10AALDH1A1HTT
SCHEMBL7088703 0.74 TDP1 (0.50) TDP1ALDH1A1HPGDMAOBERN1
SCHEMBL3329518 0.74 HPGD (0.51) TDP1ALDH1A1HPGDSMN1; SMN2KDM4E

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-2953931-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-03-01 EP disclosed