SCHEMBL7388261

SCHEMBL7388261

COC(=O)CCc1ccc(Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.57
MAPK1 P28482 3/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 3/20 0.55
CASP7 P55210 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45

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
SCHEMBL1408350 0.87 KMT2A (0.59) KMT2AMEN1MAPK1GAAMAPT
SCHEMBL13939148 0.86 ALDH1A1 (0.63) KMT2AMEN1MAPK1GAAMAPT
SCHEMBL1624506 0.81 KMT2A (0.66) KMT2AMEN1MAPK1GAAMAPT
SCHEMBL27898835 0.81 MAPK1 (0.73) KMT2AMEN1MAPK1GAAMAPT
SCHEMBL7389628 0.79 SIRT2 (0.54) KMT2AMEN1GAAMAPTTDP1
SCHEMBL28172420 0.79 TDP1 (0.60) KMT2AMEN1MAPK1GAAMAPT
SCHEMBL3631346 0.79 AR (0.57) KMT2AMEN1GAAPKMALDH1A1
SCHEMBL27226016 0.79 MAPK1 (0.62) KMT2AMEN1MAPK1GAAMAPT
SCHEMBL15082040 0.78 L3MBTL1 (0.68) KMT2AMEN1MAPK1GAAMAPT
SCHEMBL27226881 0.78 MAPT (0.69) KMT2AMEN1MAPK1GAAMAPT

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-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed