SCHEMBL22809693

SCHEMBL22809693

O=Cc1ccc(C(F)(F)F)cc1Oc1ccccc1OC(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.48
SCN10A Q9Y5Y9 4/20 0.48
DRD1 P21728 1/20 0.40
FFAR1 O14842 2/20 0.38
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SLC22A12 Q96S37 1/20 0.34
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL18570945 0.83 SCN8A (0.47) SCN8ASCN10ALMNAKMT2AGAA
SCHEMBL22809669 0.82 SCN8A (0.47) SCN8ASCN10ADRD1FFAR1LMNA
SCHEMBL5991545 0.81 SCN8A (0.47) SCN8ASCN10ALMNAKMT2AGAA
SCHEMBL4613870 0.79 LMNA (0.57) SCN8ASCN10AFFAR1LMNAKMT2A
SCHEMBL21130218 0.77 SCN8A (0.50) SCN8ASCN10ALMNAKMT2AGAA
SCHEMBL5988752 0.75 SCN8A (0.47) SCN8ASCN10AHTTALDH1A1EPAS1
SCHEMBL18570740 0.75 SCN8A (0.49) SCN8ASCN10AALDH1A1
SCHEMBL5988928 0.74 SCN8A (0.45) SCN8ASCN10ALMNAKMT2AGAA
SCHEMBL29538287 0.74 ALDH1A1 (0.55) DRD1LMNAKMT2AGAACYP2C9
SCHEMBL908602 0.74 ALDH1A1 (0.55) DRD1LMNAKMT2AGAACYP2C9

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-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed