SCHEMBL4644727

SCHEMBL4644727

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 5/20 0.61
MMP1 P03956 5/20 0.61
MMP2 P08253 5/20 0.61
MMP9 P14780 5/20 0.61
NPSR1 Q6W5P4 3/20 0.61
EGFR P00533 3/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 3/20 0.54
PLIN1 O60240 1/20 0.49
HPGD P15428 1/20 0.49
PLIN5 Q00G26 1/20 0.49
ABHD5 Q8WTS1 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4646526 0.94 MAPT (0.57) MAPTALDH1A1MMP1MMP2MMP9
SCHEMBL4646521 0.94 MAPT (0.57) MAPTALDH1A1MMP1MMP2MMP9
SCHEMBL9277123 0.89 MAPT (0.56) MAPTALDH1A1MMP1MMP2MMP9
SCHEMBL3986444 0.89 MAPT (0.56) MAPTALDH1A1MMP1MMP2MMP9
SCHEMBL4648073 0.89 MAPT (0.56) MAPTALDH1A1MMP1MMP2MMP9
SCHEMBL3040573 0.86 ALDH1A1 (0.64) MAPTALDH1A1MMP1MMP2MMP9
SCHEMBL3035626 0.85 MMP1 (0.61) MAPTALDH1A1MMP1MMP2MMP9
SCHEMBL3035627 0.85 MMP1 (0.61) MAPTALDH1A1MMP1MMP2MMP9
SCHEMBL4646465 0.85 MAOA (0.51) MAPTALDH1A1MMP1MMP2MMP9
SCHEMBL4647289 0.85 MMP1 (0.61) MAPTALDH1A1MMP1MMP2MMP9

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