Imidazole

Imidazole

SCHEMBL6376214

O=C(CSc1ccc2ccccc2c1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3\CCN(C4CC4)C3=O)CS[C@H]12.c1c[nH]cn1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.45
▸ NR1I2 O75469 1/20 0.42
▸ TDP1 Q9NUW8 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ CYP3A4 P08684 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ SPOP O43791 5/20 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 SCHEMBL6376218 1.00 CA5A (0.45) CA5ANR1I2TDP1MAPTPOLB
SCHEMBL6374511 0.93 TDP1 (0.47) CA5ANR1I2TDP1MAPTPOLB
SCHEMBL6374500 0.93 TDP1 (0.47) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5507020 0.91 CA5A (0.56) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5507022 0.91 CA5A (0.56) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5507660 0.91 CA5A (0.48) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5507663 0.91 CA5A (0.48) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5506557 0.91 CA5A (0.48) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5506560 0.91 CA5A (0.48) CA5ANR1I2TDP1MAPTPOLB
Imidazole SCHEMBL5506071 0.89 CA5A (0.41) 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-0911030-B1 Antimicrobial composition comprising a vinyyl pyrrolidinon derivative and a carbapenem antibiotic or a beta-lactamase inhibitor BASILEA PHARMACEUTICA AG (CH) 2005-04-13 — — EP disclosed
US-6150350-A CARBAPENEM ANTIBIOTIC AND BETA-LACTAMASE INHIBITOR, USEFUL FOR THE TREATMENT AND PROPHYLAXIS OF INFECTIOUS DISEASES HOFFMAN-LA ROCHE INC. (US) 2000-11-21 — — US disclosed
EP-0911030-A2 Antimicrobial composition comprising a vinyyl pyrrolidinon derivative and a carbapenem antibiotic or a beta-lactamase inhibitor F.HOFFMANN-LA ROCHE AG (CH) 1999-04-28 — — EP disclosed
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