SCHEMBL4974615

SCHEMBL4974615

Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCCC(=O)NC(=N)NC(=O)CCCC(=O)OCCn1c([N+](=O)[O-])cnc1C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.59
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
EGFR P00533 10/20 0.50
ERBB2 P04626 10/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
GUSB P08236 1/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL4488576 0.96 GLA (0.57) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL13672254 0.95 GLA (0.56) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4974209 0.94 GLA (0.61) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL13672250 0.93 GLA (0.58) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4483444 0.92 GLA (0.63) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4977107 0.92 GLA (0.61) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL13672247 0.91 GLA (0.60) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4479905 0.90 GLA (0.59) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL13672249 0.90 GLA (0.59) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4978289 0.90 GLA (0.59) GLAALDH1A1MAPTEGFRERBB2

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-1685114-B1 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS SA (BR) 2008-10-15 EP claimed
EP-1685114-B1 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS SA (BR) 2008-10-15 EP disclosed