SCHEMBL8979378

SCHEMBL8979378

CCCCCCCCCCCCNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.56
MAPT P10636 5/20 0.52
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
GSTM2 P28161 1/20 0.49
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
PRSS1 P07477 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
KAT2B Q92831 6/20 0.45
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6853076 0.92 GSTM2 (0.55) HCAR3MAPTPOLBPKMGSTM2
SCHEMBL8813201 0.88 HCAR3 (0.55) HCAR3MAPTPOLBPKMGSTM2
SCHEMBL8979405 0.82 HPGD (0.62) HCAR3MAPTGSTM2PRSS1L3MBTL1
SCHEMBL7059270 0.82 HPGD (0.62) HCAR3MAPTGSTM2PRSS1L3MBTL1
SCHEMBL8979398 0.80 THRB (0.48) HCAR3MAPTPOLBGSTM2PRSS1
SCHEMBL7061507 0.79 GSTM2 (0.43) HCAR3MAPTPOLBPKMGSTM2
SCHEMBL9011355 0.79 KAT2B (0.68) HCAR3MAPTPOLBPKMMAPK1
SCHEMBL3477027 0.79 KAT2B (0.68) HCAR3MAPTPOLBPKMMAPK1
SCHEMBL11380052 0.79 KAT2B (0.68) HCAR3MAPTPOLBPKMMAPK1
SCHEMBL7970498 0.79 KAT2B (0.68) HCAR3MAPTPOLBPKMMAPK1

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-0710225-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN Biotechnik GmbH (DE) 1996-05-08 EP disclosed
WO-1995032181-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN BIOTECHNIK GMBH (DE) 1995-11-30 WO disclosed