SCHEMBL22809656

SCHEMBL22809656

CCOc1ccccc1Oc1ccc(C(F)(F)F)cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
SCN8A Q9UQD0 2/20 0.49
SCN10A Q9Y5Y9 2/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
AR P10275 1/20 0.43
ALDH1A1 P00352 4/20 0.42
RXFP1 Q9HBX9 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL19524139 0.90 SCN8A (0.52) HPGDL3MBTL1SCN8ASCN10AALDH1A1
SCHEMBL27340001 0.87 CYP1A2 (0.54) HPGDL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL19563650 0.85 ALDH1A1 (0.44) L3MBTL1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL19524164 0.83 MAPT (0.65) L3MBTL1SCN8ASCN10ACYP1A2CYP2C9
SCHEMBL22809605 0.82 SCN8A (0.47) L3MBTL1SCN8ASCN10ACYP1A2CYP2C9
SCHEMBL19563618 0.82 SCN8A (0.47) SCN8ASCN10ACYP1A2CYP2C9CYP2C19
SCHEMBL21130218 0.82 SCN8A (0.50) SCN8ASCN10ACYP1A2CYP2C9CYP2C19
SCHEMBL2174398 0.80 ALDH1A1 (0.58) HPGDL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL19524146 0.80 KMT2A (0.49) HPGDSCN8ASCN10ALMNAMAPT
SCHEMBL957465 0.79 CYP2C19 (0.50) HPGDL3MBTL1CYP1A2CYP2C9CYP2C19

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