SCHEMBL4688745

SCHEMBL4688745

O=C(O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
MAPT P10636 5/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSPB1 P04792 2/20 0.45
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
PYGL P06737 5/20 0.44
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
PYGM P11217 2/20 0.43
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KCNMA1 Q12791 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
SCHEMBL4688753 1.00 MEN1 (0.47) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4686742 0.88 HTT (0.56) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4686748 0.88 HTT (0.56) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4682865 0.87 MEN1 (0.58) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4682855 0.87 MEN1 (0.58) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4686948 0.85 MEN1 (0.54) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4686951 0.85 MEN1 (0.54) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4684093 0.84 ALDH1A1 (0.47) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4684087 0.84 ALDH1A1 (0.47) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4684500 0.83 HSPB1 (0.50) MEN1KMT2AMAPTHTTLMNA

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed