SCHEMBL4427280

SCHEMBL4427280

Cc1cc[c]c(-c2cc(Br)ccc2Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 3/20 0.32
XBP1 P17861 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4429962 0.86 ALKBH3 (0.36) ALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL4432195 0.83 HTT (0.34) ALDH1A1SMN1; SMN2HTTMAPTXBP1
SCHEMBL4438050 0.83 ALDH1A1 (0.36) ALDH1A1MAPK1
SCHEMBL4607250 0.83 S1PR4 (0.36) ALDH1A1HTTMAPT
SCHEMBL4439277 0.83 ALDH1A1 (0.36) ALDH1A1MAPK1
SCHEMBL4433587 0.78 GAA (0.41) ALDH1A1MAPK1SMN1; SMN2HTTMAPT
SCHEMBL7839044 0.77 PLA2G7 (0.40) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4429675 0.76 PDE2A (0.39) ALDH1A1L3MBTL1
SCHEMBL4439316 0.76 ALKBH3 (0.34)
SCHEMBL4428497 0.73 HTT (0.35) ALDH1A1SMN1; SMN2HTTMAPTXBP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed