SCHEMBL4649065

SCHEMBL4649065

O=C(/C=C/Sc1ccc(F)cc1)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.57
MMP2 P08253 6/20 0.57
MMP9 P14780 6/20 0.57
EGFR P00533 3/20 0.57
KMT2A Q03164 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
POLB P06746 4/20 0.47
TGM2 P21980 2/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.45

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
SCHEMBL4649072 1.00 MMP1 (0.57) MMP1MMP2MMP9EGFRKMT2A
SCHEMBL4647289 0.94 MMP1 (0.61) MMP1MMP2MMP9EGFRKMT2A
SCHEMBL4648073 0.89 MAPT (0.56) MMP1MMP2MMP9EGFRKMT2A
SCHEMBL9277123 0.89 MAPT (0.56) MMP1MMP2MMP9EGFRKMT2A
SCHEMBL3986444 0.89 MAPT (0.56) MMP1MMP2MMP9EGFRKMT2A
SCHEMBL4646526 0.85 MAPT (0.57) MMP1MMP2MMP9EGFRKMT2A
SCHEMBL4646521 0.85 MAPT (0.57) MMP1MMP2MMP9EGFRKMT2A
SCHEMBL4645241 0.84 MMP1 (0.64) MMP1MMP2MMP9EGFRKMT2A
SCHEMBL4647865 0.84 MMP1 (0.57) MMP1MMP2MMP9EGFRKMT2A
SCHEMBL4647868 0.84 MMP1 (0.57) MMP1MMP2MMP9EGFRKMT2A

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