SCHEMBL4649121

SCHEMBL4649121

O=C(C=COc1ccccc1)Nc1ccc(Sc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
LMNA P02545 3/20 0.46
TGM2 P21980 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MMP1 P03956 3/20 0.45
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45
EGFR P00533 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
MAPT P10636 5/20 0.44

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
SCHEMBL4649146 0.87 ALDH1A1 (0.62) ALDH1A1LMNATGM2MEN1KMT2A
SCHEMBL4645874 0.86 ALDH1A1 (0.57) ALDH1A1LMNATGM2MMP1MMP2
SCHEMBL4647905 0.84 ALDH1A1 (0.48) ALDH1A1LMNATGM2MEN1KMT2A
SCHEMBL9989248 0.84 ALDH1A1 (0.48) ALDH1A1LMNATGM2MEN1KMT2A
SCHEMBL4648316 0.82 MMP1 (0.61) ALDH1A1LMNATGM2MEN1KMT2A
SCHEMBL4648924 0.82 ALDH1A1 (0.58) ALDH1A1LMNATGM2MEN1KMT2A
SCHEMBL4645027 0.82 MMP1 (0.61) ALDH1A1LMNATGM2MEN1KMT2A
SCHEMBL4644760 0.82 ALDH1A1 (0.54) ALDH1A1LMNATGM2MEN1KMT2A
SCHEMBL4648510 0.81 ALDH1A1 (0.66) ALDH1A1LMNATGM2MEN1KMT2A
SCHEMBL4646849 0.81 MMP1 (0.68) ALDH1A1LMNATGM2MEN1KMT2A

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