SCHEMBL4648850

SCHEMBL4648850

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.64
MAOA P21397 5/20 0.64
MMP1 P03956 4/20 0.64
MMP2 P08253 4/20 0.64
MMP9 P14780 4/20 0.64
EGFR P00533 2/20 0.64
MAPT P10636 6/20 0.55
NPC1 O15118 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RAB9A P51151 4/20 0.55
LMNA P02545 4/20 0.55
HTT P42858 3/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPSR1 Q6W5P4 2/20 0.50
ALPG P10696 1/20 0.50
LPAR1 Q92633 1/20 0.49
LPAR2 Q9HBW0 1/20 0.49

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
SCHEMBL4648314 0.92 MMP1 (0.57) MAOBMAOAMMP1MMP2MMP9
SCHEMBL4648315 0.92 MMP1 (0.57) MAOBMAOAMMP1MMP2MMP9
SCHEMBL4648073 0.85 MAPT (0.56) MAOBMAOAMMP1MMP2MMP9
SCHEMBL3986444 0.85 MAPT (0.56) MAOBMAOAMMP1MMP2MMP9
SCHEMBL9277123 0.85 MAPT (0.56) MAOBMAOAMMP1MMP2MMP9
SCHEMBL4644727 0.84 MAPT (0.61) MAOBMAOAMMP1MMP2MMP9
SCHEMBL4646521 0.84 MAPT (0.57) MAOBMAOAMMP1MMP2MMP9
SCHEMBL4646526 0.84 MAPT (0.57) MAOBMAOAMMP1MMP2MMP9
SCHEMBL4647675 0.83 MMP1 (0.64) MAOBMAOAMMP1MMP2MMP9
SCHEMBL4645241 0.83 MMP1 (0.64) MAOBMMP1MMP2MMP9EGFR

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