SCHEMBL22809589

SCHEMBL22809589

Cc1ccc(Oc2ccc(C(F)(F)F)cc2C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.56
HTR2A P28223 2/20 0.56
KCNH2 Q12809 2/20 0.56
MAPT P10636 3/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 1/20 0.48
SCN8A Q9UQD0 2/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
LMNA P02545 4/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FFAR1 O14842 3/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 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
SCHEMBL18570362 0.88 HTR2A (0.52) SLC6A4HTR2AKCNH2MAPTMAPK1
SCHEMBL18570517 0.88 L3MBTL1 (0.62) SLC6A4HTR2AKCNH2MAPTMAPK1
SCHEMBL18570579 0.87 L3MBTL1 (0.46) SLC6A4HTR2AKCNH2MAPTL3MBTL1
SCHEMBL19563652 0.85 HTR2A (0.51) SLC6A4HTR2AKCNH2MAPTL3MBTL1
SCHEMBL19563647 0.85 SCN8A (0.46) SLC6A4HTR2AKCNH2MAPTL3MBTL1
SCHEMBL7138558 0.85 LMNA (0.57) MAPTL3MBTL1RAB9ASCN8ASCN10A
SCHEMBL19524164 0.85 MAPT (0.65) SLC6A4HTR2AKCNH2MAPTMAPK1
SCHEMBL19563654 0.83 SCN8A (0.47) SLC6A4HTR2AKCNH2MAPTL3MBTL1
SCHEMBL9868048 0.82 NPSR1 (0.53) SLC6A4MAPK1L3MBTL1LMNANPSR1
SCHEMBL18570588 0.82 MAPT (0.52) SLC6A4HTR2AKCNH2MAPTL3MBTL1

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