SCHEMBL31065370

SCHEMBL31065370

FC(F)c1cc(Br)cnc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.35
KCNH2 Q12809 3/20 0.35
SCN9A Q15858 3/20 0.35
SCN10A Q9Y5Y9 4/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DRD1 P21728 1/20 0.32

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
SCHEMBL31065386 0.80 SCN5A (0.39) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL31065349 0.78 EGFR (0.38) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL31065345 0.77 NPBWR1 (0.35) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL31065344 0.77 NPBWR1 (0.35) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL5878919 0.76 SLC6A4 (0.52) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL5878557 0.76 DHODH (0.43) SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL31065346 0.75 SLC6A4 (0.41) L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL21801782 0.72 SCN5A (0.40) SCN5AKCNH2SCN9ASCN10ASCN1A
SCHEMBL5878875 0.72 SLC6A2 (0.46) SMN1; SMN2NPC1RAB9AL3MBTL1SLC6A2
SCHEMBL9948731 0.71 PIK3CA (0.33) LMNASMN1; SMN2

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