SCHEMBL11239802

SCHEMBL11239802

CCCCCC(=O)OC(c1cccnc1)C(Br)(Br)Br

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
POLB P06746 2/20 0.46
TBXAS1 P24557 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TLR2 O60603 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FAAH O00519 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL11235899 0.99 LMNA (0.48) LMNAPOLBTBXAS1L3MBTL1TLR2
SCHEMBL28483924 0.76 TBXAS1 (0.44) LMNATBXAS1L3MBTL1HTTALDH1A1
SCHEMBL27776383 0.75 TBXAS1 (0.47) TBXAS1
SCHEMBL11241260 0.75 LMNA (0.43) LMNAL3MBTL1HTTALDH1A1SMN1; SMN2
SCHEMBL9652762 0.74 CYP17A1 (0.52) LMNATBXAS1L3MBTL1HTTALDH1A1
SCHEMBL11204120 0.74 LMNA (0.46) LMNATLR2ALDH1A1MAPT
SCHEMBL29290709 0.74 CYP17A1 (0.52) LMNATBXAS1L3MBTL1HTTALDH1A1
SCHEMBL30479380 0.73 LMNA (0.38) LMNAPOLBTBXAS1L3MBTL1TLR2
SCHEMBL21603115 0.72 LMNA (0.51) LMNATLR2ALDH1A1MAPT
SCHEMBL9422667 0.72 KMT2A (0.59) LMNAPOLBL3MBTL1ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339455-A 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-07-13 US claimed
US-4339455-A 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-07-13 US disclosed
US-4189486-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1980-02-19 US disclosed