SCHEMBL6003080

SCHEMBL6003080

[CH2]N(OC)c1cccc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NFE2L2 Q16236 5/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL29004607 0.80 SMN1; SMN2 (0.45) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL5270439 0.78 SMN1; SMN2 (0.47) SMN1; SMN2CA12CA1CA2CA4
Nitrogen SCHEMBL10986776 0.74 SMN1; SMN2 (0.44) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL25434306 0.73 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL27753904 0.73 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL151213 0.73 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
Formaldehyde SCHEMBL28092618 0.72 SMN1; SMN2 (0.54) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL29589190 0.72 TRPM8 (0.46) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL7000187 0.72 SMN1; SMN2 (0.46) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL24317924 0.72 SMN1; SMN2 (0.46) SMN1; SMN2CA12CA1CA2CA4

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