SCHEMBL18570624

SCHEMBL18570624

Cc1ncccc1Oc1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 3/20 0.50
▸ SCN10A Q9Y5Y9 3/20 0.50
▸ PDE10A Q9Y233 3/20 0.42
▸ PDE2A O00408 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ MAP4K4 O95819 1/20 0.38
▸ NFE2L2 Q16236 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GAK O14976 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
SCHEMBL5991545 0.81 SCN8A (0.47) SCN8ASCN10APOLBMAPTNPSR1
SCHEMBL4661838 0.79 SCN8A (0.62) SCN8ASCN10AHTR2AHTR2CHTR2B
SCHEMBL4661893 0.77 SCN8A (0.48) SCN8ASCN10AHTR2AHTR2CHTR2B
SCHEMBL18570359 0.77 SCN8A (0.51) SCN8ASCN10AHTR2AMAP4K4POLB
SCHEMBL18570602 0.76 SCN10A (0.48) SCN8ASCN10A
SCHEMBL18570945 0.76 SCN8A (0.47) SCN8ASCN10APDE10APDE2APOLB
SCHEMBL18570545 0.75 SCN8A (0.52) SCN8ASCN10APDE10AHTR2AHTR2C
SCHEMBL18570362 0.74 HTR2A (0.52) SCN8ASCN10AHTR2APOLBMAPT
SCHEMBL22809693 0.74 SCN8A (0.48) SCN8ASCN10APOLBMAPTNPSR1
SCHEMBL2657080 0.74 CYP1A2 (0.46) SCN8ASCN10AHTR2AHTR2CHTR2B

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 2 patents. 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
EP-2953931-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-03-01 — — EP disclosed
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