SCHEMBL6003166

SCHEMBL6003166

[CH2]Cc1cc(Cl)c(Cl)c(Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6165454 0.76 S1PR4 (0.39) CYP3A4ALDH1A1
SCHEMBL2091240 0.70 CYP3A4 (0.36) CYP3A4ALDH1A1
SCHEMBL5946432 0.69 CYP3A4 (0.40) CYP3A4ALDH1A1
SCHEMBL5545458 0.69
SCHEMBL5545454 0.67
SCHEMBL18740731 0.67 MAOA (0.45) ALDH1A1
SCHEMBL2091242 0.65 LMNA (0.47) CYP3A4ALDH1A1
SCHEMBL28729594 0.65 CYP3A4 (0.36) CYP3A4ALDH1A1
SCHEMBL27663402 0.64 S1PR2 (0.37) CYP3A4
SCHEMBL900848 0.64 ALDH1A1 (0.45) CYP3A4ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed