SCHEMBL22809684

SCHEMBL22809684

COc1cccc(F)c1Oc1ccc(C(F)(F)F)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 4/20 0.51
▸ SCN10A Q9Y5Y9 4/20 0.51
▸ NFE2L2 Q16236 1/20 0.45
▸ AR P10275 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SRC P12931 1/20 0.39
▸ ERN1 O75460 3/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ TLR1 Q15399 1/20 0.38
▸ TLR6 Q9Y2C9 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 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
SCHEMBL19563570 0.90 SCN8A (0.51) SCN8ASCN10ANFE2L2ARMAOB
SCHEMBL22809756 0.90 SCN8A (0.46) SCN8ASCN10AMAPTNPSR1L3MBTL1
SCHEMBL30675650 0.83 AR (0.47) SCN8ASCN10ANFE2L2ARMAOB
SCHEMBL19563650 0.83 ALDH1A1 (0.44) NFE2L2ARMAOBTSHRMAPT
SCHEMBL1186123 0.81 ALDH1A1 (0.50) NFE2L2MAOBTSHRMAPTNPSR1
SCHEMBL18570724 0.81 SCN8A (0.48) SCN8ASCN10ATSHRMAPTL3MBTL1
SCHEMBL18570597 0.81 SCN8A (0.48) SCN8ASCN10ATSHRERN1ALDH1A1
SCHEMBL18570524 0.80 SCN8A (0.51) SCN8ASCN10ANFE2L2ARMAOB
SCHEMBL19563576 0.80 SCN8A (0.49) SCN8ASCN10AMAPTNPSR1L3MBTL1
SCHEMBL18570715 0.77 SCN8A (0.49) SCN8ASCN10AMAPTNPSR1L3MBTL1

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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