SCHEMBL5500601

SCHEMBL5500601

O=C(CBr)N[C@@H]1C(=O)N2C(C(=O)O)=C(C=C3CCN(Cc4ccc(O)cc4)C3=O)CS[C@H]12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
SPOP O43791 11/20 0.47
DRD2 P14416 1/20 0.47
PTGS2 P35354 1/20 0.47
DRD3 P35462 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.43
ESR1 P03372 1/20 0.42
SLC15A2 Q16348 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42

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
SCHEMBL5500594 1.00 MAPT (0.51) MAPTTDP1POLBPKMHTT
SCHEMBL5504305 0.89 MAPT (0.47) MAPTTDP1POLBPKMHTT
SCHEMBL5504309 0.89 MAPT (0.47) MAPTTDP1POLBPKMHTT
SCHEMBL5501836 0.86 TDP1 (0.50) MAPTTDP1POLBPKMHTT
SCHEMBL5501846 0.86 TDP1 (0.50) MAPTTDP1POLBPKMHTT
SCHEMBL5507026 0.86 CA5A (0.46) MAPTTDP1POLBPKMHTT
SCHEMBL5507044 0.86 CA5A (0.46) MAPTTDP1POLBPKMHTT
SCHEMBL5507182 0.84 TDP1 (0.42) MAPTTDP1POLBPKMHTT
SCHEMBL5507189 0.84 TDP1 (0.42) MAPTTDP1POLBPKMHTT
SCHEMBL5502008 0.83 TDP1 (0.48) MAPTTDP1POLBPKMHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841339-B1 Vinylpyrrolidinon cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2007-02-21 EP disclosed
US-6294668-B1 ANTIBACTERIAL ACTIVITY AGAINST BETA-LACTAM SENSITIVE AND RESISTANT GRAM-POSITIVE BACTERIA, SUCH AS STAPHYLOCOCCI, PNEUMOCOCCI, AND ENTEROCOCCI; USED IN THERAPY OF INFECTIOUS DISEASES CAUSED BY THOSE BACTERIA HOFFMAN-LA ROCHE INC. 2001-09-25 US disclosed
EP-0841339-A1 Vinylpyrrolidinon cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP disclosed