SCHEMBL4645241

SCHEMBL4645241

O=C(C=CSc1ccccc1)Nc1cccc(F)c1

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
MAOB P27338 3/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
ALPG P10696 1/20 0.50
EGFR P00533 1/20 0.49
LPAR1 Q92633 1/20 0.49
LPAR2 Q9HBW0 1/20 0.49
GFER P55789 1/20 0.47
GAA P10253 1/20 0.47
KCNK3 O14649 1/20 0.47
LMNA P02545 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
SCHEMBL4647868 0.92 MMP1 (0.57) MMP1MMP2MMP9MAOBNPC1
SCHEMBL4647865 0.92 MMP1 (0.57) MMP1MMP2MMP9MAOBNPC1
SCHEMBL3986444 0.85 MAPT (0.56) MMP1MMP2MMP9MAOBNPC1
SCHEMBL9277123 0.85 MAPT (0.56) MMP1MMP2MMP9MAOBNPC1
SCHEMBL4648073 0.85 MAPT (0.56) MMP1MMP2MMP9MAOBNPC1
SCHEMBL4649072 0.84 MMP1 (0.57) MMP1MMP2MMP9MAOBNPC1
SCHEMBL4647289 0.84 MMP1 (0.61) MMP1MMP2MMP9MAOBNPC1
SCHEMBL4649065 0.84 MMP1 (0.57) MMP1MMP2MMP9MAOBNPC1
SCHEMBL4647675 0.83 MMP1 (0.64) MMP1MMP2MMP9MAOBNPC1
SCHEMBL4648850 0.83 MAOB (0.64) MMP1MMP2MMP9MAOBNPC1

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