SCHEMBL25914166

SCHEMBL25914166

Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCC(=O)OC(C)C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.65
EGFR P00533 10/20 0.56
ERBB2 P04626 10/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 1/20 0.54
GUSB P08236 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ATM Q13315 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL12396321 0.87 LMNA (0.58) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL16063143 0.84 GLA (0.68) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL27589945 0.84 GLA (0.68) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL4475274 0.84 GLA (0.68) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL4977557 0.83 GLA (0.64) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL10286978 0.83 GLA (0.67) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL14047247 0.83 GLA (0.67) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL13672245 0.82 GLA (0.63) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL9702344 0.82 GLA (0.73) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL3767847 0.82 GLA (0.65) GLAEGFRERBB2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137529-A1 ANTI-PARASITE COMPOUNDS AUSTRALIAN NATIONAL UNIVERSITY (AU) 2023-07-27 WO disclosed