SCHEMBL4647289

SCHEMBL4647289

O=C(C=CSc1ccccc1)Nc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.61
MMP2 P08253 5/20 0.61
MMP9 P14780 5/20 0.61
EGFR P00533 3/20 0.61
TGM2 P21980 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 3/20 0.49
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.49
PLIN1 O60240 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
PLIN5 Q00G26 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ABHD5 Q8WTS1 1/20 0.49
MEN1 O00255 4/20 0.48

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
SCHEMBL4649065 0.94 MMP1 (0.57) MMP1MMP2MMP9EGFRTGM2
SCHEMBL4649072 0.94 MMP1 (0.57) MMP1MMP2MMP9EGFRTGM2
SCHEMBL9277123 0.89 MAPT (0.56) MMP1MMP2MMP9EGFRTGM2
SCHEMBL4648073 0.89 MAPT (0.56) MMP1MMP2MMP9EGFRTGM2
SCHEMBL3986444 0.89 MAPT (0.56) MMP1MMP2MMP9EGFRTGM2
SCHEMBL3040573 0.86 ALDH1A1 (0.64) MMP1MMP2MMP9EGFRNPC1
SCHEMBL4646465 0.85 MAOA (0.51) MMP1MMP2MMP9EGFRTGM2
SCHEMBL4644727 0.85 MAPT (0.61) MMP1MMP2MMP9EGFRNPC1
SCHEMBL3035626 0.85 MMP1 (0.61) MMP1MMP2MMP9EGFRTGM2
SCHEMBL3035627 0.85 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