SCHEMBL22809756

SCHEMBL22809756

O=Cc1cc(C(F)(F)F)ccc1Oc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 4/20 0.46
▸ SCN10A Q9Y5Y9 4/20 0.46
▸ EPAS1 Q99814 2/20 0.43
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CCR1 P32246 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL22809684 0.90 SCN8A (0.51) SCN8ASCN10AL3MBTL1ALDH1A1MAPT
SCHEMBL19563570 0.87 SCN8A (0.51) SCN8ASCN10AL3MBTL1ALDH1A1MAPT
SCHEMBL19563735 0.79 SCN8A (0.46) SCN8ASCN10AEPAS1ALDH1A1
SCHEMBL18570620 0.79 SCN8A (0.46) SCN8ASCN10AEPAS1POLBL3MBTL1
SCHEMBL7138558 0.79 LMNA (0.57) SCN8ASCN10AEPAS1POLBL3MBTL1
SCHEMBL18570579 0.78 L3MBTL1 (0.46) SCN8ASCN10AEPAS1L3MBTL1ALDH1A1
SCHEMBL22809753 0.77 SCN8A (0.47) SCN8ASCN10AEPAS1L3MBTL1CCR1
SCHEMBL18570524 0.76 SCN8A (0.51) SCN8ASCN10APOLBL3MBTL1ALDH1A1
SCHEMBL22809605 0.75 SCN8A (0.47) SCN8ASCN10APOLBL3MBTL1ALDH1A1
SCHEMBL19524146 0.75 KMT2A (0.49) SCN8ASCN10AEPAS1POLBMAPT

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
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