Imidazole

Imidazole

SCHEMBL5501596

O=C(COc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3\CCN(Cc4cccc(O)c4)C3=O)CS[C@H]12.c1c[nH]cn1

nearest known ligand 0.47

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
SPOP O43791 10/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.38
NR1I2 O75469 1/20 0.36
CA5A P35218 1/20 0.35

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
Imidazole SCHEMBL5501599 1.00 TDP1 (0.43) TDP1POLBMAPTPKMHTT
Imidazole SCHEMBL5500952 0.90 TDP1 (0.43) TDP1POLBMAPTPKMHTT
Imidazole SCHEMBL5500957 0.90 TDP1 (0.43) TDP1POLBMAPTPKMHTT
Imidazole SCHEMBL5506767 0.89 TDP1 (0.42) TDP1POLBMAPTPKMHTT
Imidazole SCHEMBL5506762 0.89 TDP1 (0.42) TDP1POLBMAPTPKMHTT
Imidazole SCHEMBL5500658 0.86 CA5A (0.44) TDP1POLBMAPTPKMHTT
Imidazole SCHEMBL5500663 0.86 CA5A (0.44) TDP1POLBMAPTPKMHTT
Imidazole SCHEMBL5505096 0.84 CA5A (0.49) TDP1POLBMAPTPKMHTT
Imidazole SCHEMBL5505098 0.84 CA5A (0.49) TDP1POLBMAPTPKMHTT
Imidazole SCHEMBL5505088 0.83 CA5A (0.47) TDP1POLBMAPTPKMHTT

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