SCHEMBL22809669

SCHEMBL22809669

O=Cc1ccc(C(F)(F)F)cc1Oc1ccc(OC(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.47
FFAR1 O14842 3/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD1 P21728 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
KCNH2 Q12809 3/20 0.39
CYP2C9 P11712 2/20 0.39
CACNA1C Q13936 1/20 0.39
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL19563654 0.89 SCN8A (0.47) SCN8ASCN10AFFAR1MAPTLMNA
SCHEMBL19563711 0.88 ALDH1A3 (0.44) SCN8ASCN10AFFAR1MAPTLMNA
SCHEMBL5988928 0.84 SCN8A (0.45) SCN8ASCN10AMAPTLMNAKMT2A
SCHEMBL18570392 0.83 SCN8A (0.46) SCN8ASCN10AFFAR1MAPTLMNA
SCHEMBL18570362 0.83 HTR2A (0.52) SCN8ASCN10AMAPTLMNAKMT2A
SCHEMBL4613870 0.82 LMNA (0.57) SCN8ASCN10AFFAR1MAPTLMNA
SCHEMBL22809693 0.82 SCN8A (0.48) SCN8ASCN10AFFAR1MAPTLMNA
SCHEMBL18570742 0.76 SCN8A (0.52) SCN8ASCN10AMAPTLMNAKMT2A
SCHEMBL18570880 0.76 SCN10A (0.50) SCN8ASCN10AMAPTL3MBTL1POLB
SCHEMBL957598 0.75 ALDH1A1 (0.41) SCN8ASCN10AMAPTNPSR1L3MBTL1

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