SCHEMBL11235899

SCHEMBL11235899

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
POLB P06746 2/20 0.48
TBXAS1 P24557 2/20 0.45
HTT P42858 1/20 0.43
TLR2 O60603 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FAAH O00519 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL11239802 0.99 LMNA (0.46) LMNAPOLBTBXAS1HTTTLR2
SCHEMBL28483924 0.75 TBXAS1 (0.44) LMNATBXAS1HTTALDH1A1L3MBTL1
SCHEMBL27776383 0.74 TBXAS1 (0.47) TBXAS1
SCHEMBL21603115 0.74 LMNA (0.51) LMNATLR2ALDH1A1MAPTMAPK1
SCHEMBL11241260 0.74 LMNA (0.43) LMNAHTTALDH1A1MAPTL3MBTL1
SCHEMBL9652762 0.73 CYP17A1 (0.52) LMNATBXAS1HTTALDH1A1MAPT
SCHEMBL29290709 0.73 CYP17A1 (0.52) LMNATBXAS1HTTALDH1A1MAPT
SCHEMBL11204120 0.73 LMNA (0.46) LMNATLR2ALDH1A1MAPTMAPK1
SCHEMBL28368178 0.73 KMT2A (0.58) LMNAPOLBTBXAS1HTTALDH1A1
SCHEMBL31112821 0.72 LMNA (0.51) LMNATLR2ALDH1A1MAPTMAPK1

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
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