SCHEMBL6003215

SCHEMBL6003215

[CH2]COC(=O)N(C)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.54
NCEH1 Q6PIU2 7/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL11570035 0.86 SIGMAR1 (0.56) SIGMAR1NCEH1ALDH1A1HPGDCDC25B
SCHEMBL2090833 0.83 SIGMAR1 (0.59) SIGMAR1NCEH1LMNA
SCHEMBL2090835 0.81 SIGMAR1 (0.61) SIGMAR1NCEH1ALDH1A1LMNA
SCHEMBL10960645 0.80 SIGMAR1 (0.49) SIGMAR1NCEH1ALDH1A1HPGDLMNA
SCHEMBL2091261 0.78 DDB1 (0.40) ALDH1A1
SCHEMBL2093891 0.78 CHRNB2 (0.36) NCEH1ALDH1A1LMNA
SCHEMBL8150820 0.77 SIGMAR1 (0.65) SIGMAR1
SCHEMBL5923592 0.77 SIGMAR1 (0.56) SIGMAR1NCEH1LMNA
SCHEMBL6002255 0.76 RXRA (0.39) SIGMAR1ALDH1A1LMNA
SCHEMBL6002450 0.76 PTGIR (0.39) LMNA

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