SCHEMBL5310539

SCHEMBL5310539

CCc1[nH]c(C(=O)O)nc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
HCAR2 Q8TDS4 3/20 0.34
FBP1 P09467 5/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 3/20 0.31
PIN1 Q13526 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PTPRB P23467 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.30
NPBWR1 P48145 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4021901 0.87 KDM4E (0.34) LMNAHCAR2FBP1MAPTKDM4E
SCHEMBL5310322 0.77 LMNA (0.37) LMNAMAPTPIN1KDM4ECYP3A4
SCHEMBL667466 0.75 LMNA (0.38) LMNAMAPTPIN1KDM4ECYP3A4
SCHEMBL2822746 0.73 HCAR2 (0.43) LMNAHCAR2PIN1KDM4ECYP3A4
SCHEMBL2823071 0.72 HSD17B10 (0.46) LMNAHCAR2PIN1KDM4ECYP3A4
SCHEMBL2822836 0.72 LMNA (0.38) LMNAHCAR2PIN1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL2824409 0.70 HSD17B10 (0.44) LMNAHCAR2PIN1KDM4ECYP3A4
SCHEMBL11499636 0.70 HCAR2 (0.45) LMNAHCAR2FBP1MAPTCYP2C19
SCHEMBL2824744 0.69 LMNA (0.40) LMNAHCAR2MAPTPIN1KDM4E
SCHEMBL2822253 0.68 HCAR2 (0.38) LMNAHCAR2PIN1KDM4ECYP3A4

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-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed