SCHEMBL4684087

SCHEMBL4684087

CCOc1cc([N+](=O)[O-])ccc1Oc1ccc(NC(=O)O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 6/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TBXA2R P21731 3/20 0.44
CYP19A1 P11511 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 2/20 0.43
PKM P14618 2/20 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
SCHEMBL4684093 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4686338 0.87 GAA (0.46) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4686343 0.87 GAA (0.46) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4686748 0.86 HTT (0.56) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4686742 0.86 HTT (0.56) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4683388 0.85 HSPB1 (0.45) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL4683383 0.85 HSPB1 (0.45) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL4688753 0.84 MEN1 (0.47) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4688745 0.84 MEN1 (0.47) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4682865 0.83 MEN1 (0.58) ALDH1A1KMT2AMAPTMEN1LMNA

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