Imidazole

Imidazole

SCHEMBL5504397

O=C(CSc1nc2ccccc2s1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3\CCN(Cc4ccc(O)cc4)C3=O)CS[C@H]12.c1c[nH]cn1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 5/20 0.43
▸ CCR1 P32246 4/20 0.43
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ CA5A P35218 1/20 0.39
▸ NR1I2 O75469 1/20 0.38
▸ SPOP O43791 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ DRD2 P14416 1/20 0.34

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 SCHEMBL5504407 1.00 CCR3 (0.43) CCR3CCR1MAPTTDP1POLB
Imidazole SCHEMBL5505092 0.91 CA5A (0.47) MAPTTDP1POLBPKMHTT
Imidazole SCHEMBL5505088 0.91 CA5A (0.47) MAPTTDP1POLBPKMHTT
Imidazole SCHEMBL5505836 0.89 TDP1 (0.39) MAPTTDP1POLBPKMHTT
Imidazole SCHEMBL5505840 0.89 TDP1 (0.39) MAPTTDP1POLBPKMHTT
Imidazole SCHEMBL5504269 0.88 CA5A (0.43) MAPTTDP1POLBPKMHTT
Imidazole SCHEMBL5504272 0.88 CA5A (0.43) MAPTTDP1POLBPKMHTT
Imidazole SCHEMBL5505064 0.88 CCR3 (0.42) CCR3CCR1MAPTTDP1POLB
Imidazole SCHEMBL5505069 0.88 CCR3 (0.42) CCR3CCR1MAPTTDP1POLB
Imidazole SCHEMBL5505098 0.87 CA5A (0.49) 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
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