Imidazole

Imidazole

SCHEMBL5504741

CC(C)CN1CCC(=CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CSc4ccccc4)[C@H]3SC2)C1=O.c1c[nH]cn1

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.49
NR1I2 O75469 2/20 0.47
TDP1 Q9NUW8 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 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
CYP3A4 P08684 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.40
PGR P06401 1/20 0.36

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 SCHEMBL5504736 1.00 CA5A (0.49) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5505098 0.91 CA5A (0.49) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5505096 0.91 CA5A (0.49) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5506168 0.90 CA5A (0.48) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5506170 0.90 CA5A (0.48) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5502417 0.90 CA5A (0.48) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5502410 0.90 CA5A (0.48) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5505092 0.89 CA5A (0.47) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5504932 0.89 CA5A (0.47) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5505088 0.89 CA5A (0.47) CA5ANR1I2TDP1MAPTPOLB

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