SCHEMBL31065386

SCHEMBL31065386

Cc1cc(Br)cnc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.39
KCNH2 Q12809 4/20 0.38
SCN9A Q15858 3/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
ABL1 P00519 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
L3MBTL1 Q9Y468 2/20 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
SCHEMBL31065349 0.83 EGFR (0.38) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL31065370 0.80 SCN5A (0.35) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL31065345 0.80 NPBWR1 (0.35) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL31065344 0.80 NPBWR1 (0.35) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL5878919 0.79 SLC6A4 (0.52) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL5878557 0.78 DHODH (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL5878875 0.77 SLC6A2 (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1SLC6A2
SCHEMBL30012981 0.75 AAK1 (0.38) SMN1; SMN2S1PR1S1PR3POLBGAA
SCHEMBL27149274 0.75 AAK1 (0.38) SMN1; SMN2S1PR1S1PR3POLBGAA
SCHEMBL21801782 0.74 SCN5A (0.40) SCN5AKCNH2SCN9ASCN10ASCN1A

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-4602044-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF invIOs GmbH (AT) 2025-08-20 EP disclosed
WO-2024133605-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF INVIOS GMBH (AT) 2024-06-27 WO disclosed