SCHEMBL4686973

SCHEMBL4686973

O=C(/C=C/SSc1ccccc1)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.53
MMP2 P08253 6/20 0.53
MMP9 P14780 6/20 0.53
MAOB P27338 4/20 0.53
EGFR P00533 2/20 0.53
MAOA P21397 1/20 0.53
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TGM2 P21980 1/20 0.49
ALPG P10696 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4647889 0.90 MMP1 (0.58) MMP1MMP2MMP9MAOBEGFR
SCHEMBL4646660 0.86 MAOB (0.48) MMP1MMP2MMP9MAOBEGFR
SCHEMBL9277123 0.83 MAPT (0.56) MMP1MMP2MMP9MAOBEGFR
SCHEMBL4648073 0.83 MAPT (0.56) MMP1MMP2MMP9MAOBEGFR
SCHEMBL3986444 0.83 MAPT (0.56) MMP1MMP2MMP9MAOBEGFR
SCHEMBL4647264 0.81 NMT1 (0.57) MMP1MMP2MMP9EGFRMAPT
SCHEMBL4645990 0.79 SMN1; SMN2 (0.49) MMP1MMP2MMP9MAOBEGFR
SCHEMBL6302452 0.78 MMP1 (0.73) MMP1MMP2MMP9MAOBEGFR
SCHEMBL6302448 0.78 MMP1 (0.73) MMP1MMP2MMP9MAOBEGFR
SCHEMBL9840923 0.78 MMP1 (0.73) MMP1MMP2MMP9MAOBEGFR

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