SCHEMBL4649079

SCHEMBL4649079

COc1ccc(NC(=O)C=CSc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.64
MMP2 P08253 4/20 0.64
MMP9 P14780 4/20 0.64
EGFR P00533 1/20 0.64
TGM2 P21980 1/20 0.54
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 2/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL4648933 0.94 MMP1 (0.60) MMP1MMP2MMP9EGFRTGM2
SCHEMBL4648935 0.94 MMP1 (0.60) MMP1MMP2MMP9EGFRTGM2
SCHEMBL3041662 0.88 TP53 (0.65) MMP1MMP2MMP9EGFRTGM2
SCHEMBL3041658 0.88 TP53 (0.65) MMP1MMP2MMP9EGFRTGM2
SCHEMBL4648121 0.87 ALDH1A1 (0.67) MMP1MMP2MMP9EGFRTGM2
SCHEMBL3986444 0.85 MAPT (0.56) MMP1MMP2MMP9EGFRTGM2
SCHEMBL4648073 0.85 MAPT (0.56) MMP1MMP2MMP9EGFRTGM2
SCHEMBL9277123 0.85 MAPT (0.56) MMP1MMP2MMP9EGFRTGM2
SCHEMBL3035626 0.84 MMP1 (0.61) MMP1MMP2MMP9EGFRTGM2
SCHEMBL3035627 0.84 MMP1 (0.61) MMP1MMP2MMP9EGFRTGM2

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