SCHEMBL13397203

SCHEMBL13397203

COC(=O)COc1ccccc1Oc1cc(NC(C)=O)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 3/20 0.41
CYP19A1 P11511 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
F2 P00734 1/20 0.39
HSPB1 P04792 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3245165 0.91 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3244558 0.88 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3243528 0.87 L3MBTL1 (0.52) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3245195 0.84 KMT2A (0.45) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13397202 0.83 SMN1; SMN2 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13841331 0.83 GAA (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13397607 0.83 LMNA (0.47) MAPTPOLBL3MBTL1SMN1; SMN2GAA
SCHEMBL3241043 0.83 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3245191 0.82 KMT2A (0.43) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6637992 0.80 KMT2A (0.47) ALDH1A1MAPTMEN1KMT2APOLB

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
EP-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 EP disclosed
US-7538072-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-26 US disclosed
US-7538072-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-26 US disclosed
EP-1397958-B1 STEM/LEAF DESICCANT SUMITOMO CHEMICAL CO (JP) 2007-01-10 EP disclosed