SCHEMBL9274355

SCHEMBL9274355

Cc1nc(C)c([N+](=O)[O-])c(-c2cccnc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
CYP2A6 P11509 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 1/20 0.39
KMO O15229 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
PRNP P04156 1/20 0.38
PPARG P37231 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
SCHEMBL9278847 0.77 KDM4E (0.52) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL9275026 0.76 MAPT (0.37) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL9274009 0.74 MAPT (0.34) MEN1KMT2ACYP2A6HTTMAPT
SCHEMBL9279745 0.73 KDM4E (0.45) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL9281258 0.73 L3MBTL1 (0.51) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL4763744 0.73 MKNK1 (0.43) MKNK1MKNK2CYP2A6LMNAL3MBTL1
SCHEMBL6960011 0.72 ALDH1A1 (0.54) MEN1KMT2AMAPTTDP1
SCHEMBL6960006 0.72 ALDH1A1 (0.54) MEN1KMT2AMAPTTDP1
SCHEMBL14941196 0.71 LDHA (0.41) MEN1KMT2AL3MBTL1HTTKMO
SCHEMBL3757392 0.70 LMNA (0.56) MKNK1MKNK2CYP2A6LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012050884-A2 CARDIAC GLYCOSIDES ARE POTENT INHIBITORS OF INTERFERON-BETA GENE EXPRESSION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-04-19 WO claimed
EP-2646107-A2 AGENT DELIVERY SYSTEMS FOR SELECTIVE NEUROMODULATION Spinal Modulation Inc. (US) 2013-10-09 EP disclosed
WO-2012174537-A2 SMALL MOLECULE SCREENING FOR MOUSE SATELLITE CELL PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-12-20 WO disclosed
WO-2012075337-A2 DIRECTED DELIVERY OF AGENTS TO NEURAL ANATOMY SPINAL MODULATION, INC. (US) 2012-06-07 WO disclosed