SCHEMBL4688634

SCHEMBL4688634

Cc1cc(NC(=O)O)ccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
GAA P10253 2/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 4/20 0.56
RAB9A P51151 2/20 0.56
MAPK1 P28482 2/20 0.56
NPC1 O15118 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MYOC Q99972 1/20 0.56
POLB P06746 3/20 0.51
HTT P42858 2/20 0.50
PDGFRA P16234 1/20 0.47
KDR P35968 1/20 0.47
LMNA P02545 2/20 0.47
FFAR1 O14842 1/20 0.47
HSPB1 P04792 1/20 0.47
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
STK39 Q9UEW8 1/20 0.46

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
SCHEMBL4688637 1.00 MEN1 (0.56) MEN1KMT2AGAAPKMMAPT
SCHEMBL4683454 0.92 MEN1 (0.62) MEN1KMT2AGAAPKMMAPT
SCHEMBL4687907 0.87 MEN1 (0.58) MEN1KMT2AGAAPKMMAPT
SCHEMBL4687906 0.87 MEN1 (0.58) MEN1KMT2AGAAPKMMAPT
SCHEMBL4687845 0.87 KMT2A (0.54) MEN1KMT2AGAAPKMMAPT
SCHEMBL4688915 0.87 MEN1 (0.58) MEN1KMT2AGAAPKMMAPT
SCHEMBL4687842 0.87 KMT2A (0.54) MEN1KMT2AGAAPKMMAPT
SCHEMBL4688917 0.87 MEN1 (0.58) MEN1KMT2AGAAPKMMAPT
SCHEMBL11394147 0.87 KMT2A (0.60) MEN1KMT2AGAAPKMMAPT
SCHEMBL11394153 0.87 KMT2A (0.60) MEN1KMT2AGAAPKMMAPT

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed