Imidazole

Imidazole

SCHEMBL5505069

O=C(CSc1nc2ccccc2s1)N[C@@H]1C(=O)N2C(C(=O)O)=C(C=C3CCN(C4CC4)C3=O)CS[C@H]12.c1c[nH]cn1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 5/20 0.42
▸ CCR1 P32246 4/20 0.42
▸ CA5A P35218 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ POLB P06746 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
▸ TDP1 Q9NUW8 1/20 0.40
▸ NR1I2 O75469 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ MAPK1 P28482 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 SCHEMBL5505064 1.00 CCR3 (0.42) CCR3CCR1CA5AMAPTPKM
Imidazole SCHEMBL5508949 0.89 CA5A (0.42) CA5AMAPTPKMPOLBHTT
Imidazole SCHEMBL5508944 0.89 CA5A (0.42) CA5AMAPTPKMPOLBHTT
Imidazole SCHEMBL6376218 0.88 CA5A (0.45) CA5AMAPTPKMPOLBHTT
Imidazole SCHEMBL6376214 0.88 CA5A (0.45) CA5AMAPTPKMPOLBHTT
Imidazole SCHEMBL5504407 0.88 CCR3 (0.43) CCR3CCR1CA5AMAPTPKM
Imidazole SCHEMBL5504397 0.88 CCR3 (0.43) CCR3CCR1CA5AMAPTPKM
Imidazole SCHEMBL5507022 0.87 CA5A (0.56) CA5AMAPTPKMPOLBHTT
Imidazole SCHEMBL5507020 0.87 CA5A (0.56) CA5AMAPTPKMPOLBHTT
Imidazole SCHEMBL5506071 0.87 CA5A (0.41) CA5AMAPTPKMPOLBHTT

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
Send feedback