SCHEMBL4647264

SCHEMBL4647264

Cc1ccc(NC(=O)/C=C/SSc2ccc(C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.57
DDAH1 O94760 1/20 0.55
TGM2 P21980 1/20 0.51
MMP1 P03956 4/20 0.51
MMP2 P08253 4/20 0.51
MMP9 P14780 4/20 0.51
EGFR P00533 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL4647889 0.93 MMP1 (0.58) NMT1DDAH1TGM2MMP1MMP2
SCHEMBL4648123 0.81 NMT1 (0.50) NMT1DDAH1TGM2MMP1MMP2
SCHEMBL4686973 0.81 MMP1 (0.53) TGM2MMP1MMP2MMP9EGFR
SCHEMBL14578749 0.79 NMT1 (0.85) NMT1DDAH1TGM2MMP1MMP2
SCHEMBL4645399 0.78 SMN1; SMN2 (0.53) NMT1DDAH1TGM2MMP1MMP2
SCHEMBL3035626 0.77 MMP1 (0.61) NMT1DDAH1TGM2MMP1MMP2
SCHEMBL3035627 0.77 MMP1 (0.61) NMT1DDAH1TGM2MMP1MMP2
SCHEMBL3041662 0.76 TP53 (0.65) NMT1DDAH1TGM2MMP1MMP2
SCHEMBL3041658 0.76 TP53 (0.65) NMT1DDAH1TGM2MMP1MMP2
SCHEMBL4646660 0.75 MAOB (0.48) TGM2MMP1MMP2MMP9EGFR

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