SCHEMBL22809674

SCHEMBL22809674

COc1ccc(Oc2ccc(Cl)cc2C=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.47
ERN1 O75460 5/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPAS1 Q99814 1/20 0.42
HTR2A P28223 3/20 0.40
SLC6A4 P31645 3/20 0.40
KCNH2 Q12809 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL18570748 0.86 HTR2A (0.43) SCN8ASCN10AERN1ALDH1A1HPGD
SCHEMBL19563648 0.86 SCN8A (0.47) SCN8ASCN10AERN1ALDH1A1HPGD
SCHEMBL16319608 0.85 ALDH1A1 (0.45) SCN8ASCN10AERN1ALDH1A1HPGD
SCHEMBL22809762 0.84 ERN1 (0.46) ERN1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL2419953 0.84 ALDH1A1 (0.61) ERN1ALDH1A1HPGDLMNACYP1A2
SCHEMBL19563671 0.82 ERN1 (0.46) SCN8ASCN10AERN1ALDH1A1LMNA
SCHEMBL19563576 0.81 SCN8A (0.49) SCN8ASCN10AERN1ALDH1A1LMNA
SCHEMBL19563733 0.81 EPAS1 (0.49) SCN8ASCN10AERN1ALDH1A1HPGD
SCHEMBL29956352 0.80 ERN1 (0.58) ERN1ALDH1A1HPGDLMNACYP1A2
SCHEMBL95806 0.80 ERN1 (0.58) ERN1ALDH1A1HPGDLMNACYP1A2

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