SCHEMBL3396782

SCHEMBL3396782

O=C(c1ccccc1C(F)(F)F)C(Br)Br

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
GSK3B P49841 1/20 0.47
CTNNB1 P35222 3/20 0.45
WNT3A P56704 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 2/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
PTPRC P08575 1/20 0.42
PTGS1 P23219 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
NFKB1 P19838 1/20 0.41

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
SCHEMBL29410859 0.85 LMNA (0.51) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL2027517 0.85 LMNA (0.51) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL2489145 0.82 LMNA (0.49) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL10137791 0.81 LMNA (0.55) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL4710154 0.79 LMNA (0.53) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL29256271 0.79 LMNA (0.53) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL19863249 0.78 LMNA (0.51) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL31575836 0.78 LMNA (0.60) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL5635178 0.78 LMNA (0.60) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL17493298 0.77 LMNA (0.44) LMNAGAACTNNB1WNT3ASMN1; 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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed