SCHEMBL5285372

SCHEMBL5285372

CC(=O)Nc1ccc(OC(=O)C=Cc2ccc(OCOC(=O)CCCO[N+](=O)[O-])cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
CYP1A2 P05177 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
SCHEMBL1535310 0.82 CA12 (0.56) MAPTKMT2AALDH1A1HTTCA12
SCHEMBL4395475 0.82 CA12 (0.56) MAPTKMT2AALDH1A1HTTCA12
SCHEMBL1535326 0.81 MAPT (0.52) MAPTKMT2AMEN1LMNANPC1
SCHEMBL10019901 0.78 MAPT (0.51) MAPTKMT2AMEN1LMNANPC1
SCHEMBL3104512 0.76 MAPT (0.68) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL3099109 0.76 MAPT (0.68) MAPTKMT2AMEN1LMNARAB9A
SCHEMBL9523524 0.75 MAPT (0.61) MAPTKMT2AMEN1LMNANPC1
SCHEMBL9523516 0.75 MAPT (0.61) MAPTKMT2AMEN1LMNANPC1
SCHEMBL3093420 0.75 MAPT (0.67) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL10121454 0.73 MAPT (0.58) MAPTKMT2AMEN1LMNARAB9A

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
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP claimed