SCHEMBL4648657

SCHEMBL4648657

O=C(C=COc1ccccc1)Nc1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
MAOB P27338 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP1 P03956 4/20 0.42
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
MAOA P21397 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42

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
SCHEMBL4646819 0.87 MAPT (0.54) ALDH1A1MAPTNPC1RAB9AHIF1A
SCHEMBL4646176 0.87 EGFR (0.62) EGFRALDH1A1MAPTMAOBNPC1
SCHEMBL4645874 0.83 ALDH1A1 (0.57) EGFRALDH1A1MAPTMAOBNPC1
SCHEMBL4645554 0.82 MMP1 (0.61) EGFRALDH1A1MAPTNPC1RAB9A
SCHEMBL4647415 0.81 HIF1A (0.47) EGFRALDH1A1MAPTMAOBHIF1A
SCHEMBL4646853 0.77 MGLL (0.55) ALDH1A1MAPTHIF1AMEN1KMT2A
SCHEMBL4648924 0.77 ALDH1A1 (0.58) EGFRALDH1A1MAPTMAOBNPC1
SCHEMBL4645027 0.77 MMP1 (0.61) EGFRALDH1A1MAPTNPC1RAB9A
SCHEMBL4648316 0.77 MMP1 (0.61) EGFRALDH1A1MAPTMAOBNPC1
SCHEMBL4644760 0.77 ALDH1A1 (0.54) EGFRALDH1A1MAPTMAOBNPC1

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-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed