SCHEMBL13397202

SCHEMBL13397202

CCc1ccccc1Oc1cc(NC(C)=O)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
P2RY1 P47900 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
MAPT P10636 3/20 0.42
HSPB1 P04792 1/20 0.42
PKM P14618 2/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL3243528 0.86 L3MBTL1 (0.52) SMN1; SMN2KMT2AMEN1POLBL3MBTL1
SCHEMBL3241043 0.86 MEN1 (0.46) KMT2AMEN1POLBL3MBTL1GAA
SCHEMBL3245195 0.85 KMT2A (0.45) KMT2AMEN1POLBL3MBTL1GAA
SCHEMBL3245165 0.84 ALDH1A1 (0.47) SMN1; SMN2KMT2AMEN1POLBL3MBTL1
SCHEMBL3245191 0.83 KMT2A (0.43) KMT2AMEN1POLBL3MBTL1GAA
SCHEMBL13397203 0.83 ALDH1A1 (0.46) SMN1; SMN2KMT2AMEN1POLBL3MBTL1
SCHEMBL29929714 0.80 L3MBTL1 (0.52) SMN1; SMN2KMT2AMEN1POLBL3MBTL1
SCHEMBL3244558 0.77 MEN1 (0.49) P2RY1KMT2AMEN1POLBL3MBTL1
SCHEMBL6637992 0.77 KMT2A (0.47) SMN1; SMN2P2RY1KMT2AMEN1POLB
SCHEMBL6636160 0.76 KMT2A (0.44) SMN1; SMN2P2RY1KMT2AMEN1POLB

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-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 EP disclosed