SCHEMBL3245191

SCHEMBL3245191

CC(=O)Nc1cc(Oc2ccccc2OOC(C)=O)c([N+](=O)[O-])cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 1/20 0.43
HSPB1 P04792 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
CYP19A1 P11511 1/20 0.38
RAB9A P51151 1/20 0.38
PDE7A Q13946 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3245195 0.89 KMT2A (0.45) KMT2AMEN1L3MBTL1POLBHSPB1
SCHEMBL3243528 0.88 L3MBTL1 (0.52) KMT2AMEN1L3MBTL1POLBHSPB1
SCHEMBL3241043 0.85 MEN1 (0.46) KMT2AMEN1L3MBTL1POLBHSPB1
SCHEMBL13397202 0.83 SMN1; SMN2 (0.46) KMT2AMEN1L3MBTL1POLBHSPB1
SCHEMBL3245165 0.83 ALDH1A1 (0.47) KMT2AMEN1L3MBTL1POLBHSPB1
SCHEMBL13397203 0.82 ALDH1A1 (0.46) KMT2AMEN1L3MBTL1POLBHSPB1
SCHEMBL3250913 0.82 HDAC1 (0.39) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL29929714 0.79 L3MBTL1 (0.52) KMT2AMEN1L3MBTL1POLBHSPB1
SCHEMBL25095984 0.74 L3MBTL1 (0.47) KMT2AMEN1L3MBTL1POLBHSPB1
SCHEMBL3244558 0.74 MEN1 (0.49) KMT2AMEN1L3MBTL1POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 EP disclosed
EP-1397958-B1 STEM/LEAF DESICCANT SUMITOMO CHEMICAL CO (JP) 2007-01-10 EP disclosed
EP-1736052-A2 Stem/leaf desiccant Sumitomo Chemical Company, Limited (JP) 2006-12-27 EP disclosed