SCHEMBL4646465

SCHEMBL4646465

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
ALDH1A1 P00352 7/20 0.51
LMNA P02545 3/20 0.50
F13A1 P00488 1/20 0.50
TGM2 P21980 1/20 0.50
TGM1 P22735 1/20 0.50
TGM3 Q08188 1/20 0.50
MAPT P10636 4/20 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
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 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
SCHEMBL9277123 0.89 MAPT (0.56) MAOAMAOBALDH1A1LMNATGM2
SCHEMBL3986444 0.89 MAPT (0.56) MAOAMAOBALDH1A1LMNATGM2
SCHEMBL4648073 0.89 MAPT (0.56) MAOAMAOBALDH1A1LMNATGM2
SCHEMBL3040573 0.86 ALDH1A1 (0.64) MAOAMAOBALDH1A1LMNAMAPT
SCHEMBL3035626 0.85 MMP1 (0.61) MAOAMAOBALDH1A1LMNATGM2
SCHEMBL4647289 0.85 MMP1 (0.61) MAOAMAOBALDH1A1LMNATGM2
SCHEMBL3035627 0.85 MMP1 (0.61) MAOAMAOBALDH1A1LMNATGM2
SCHEMBL4644727 0.85 MAPT (0.61) MAOAMAOBALDH1A1LMNAMAPT
SCHEMBL4648121 0.82 ALDH1A1 (0.67) ALDH1A1LMNATGM2MAPTPLIN1
SCHEMBL3039542 0.81 CRHBP (0.47) ALDH1A1LMNAMAPTPLIN1HPGD

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