SCHEMBL4688917

SCHEMBL4688917

COc1ccc(NC(=O)O)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
MAPT P10636 7/20 0.58
MAPK1 P28482 4/20 0.58
POLB P06746 2/20 0.58
BLM P54132 1/20 0.58
ALOX5 P09917 1/20 0.57
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.54
PKM P14618 1/20 0.54
SETD7 Q8WTS6 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PDGFRA P16234 1/20 0.53
KDR P35968 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MYOC Q99972 1/20 0.53
THRB P10828 1/20 0.52

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
SCHEMBL4688915 1.00 MEN1 (0.58) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4687907 0.95 MEN1 (0.58) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4687906 0.95 MEN1 (0.58) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL13915768 0.90 KMT2A (0.67) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4687895 0.88 MEN1 (0.60) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4688637 0.87 MEN1 (0.56) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4688634 0.87 MEN1 (0.56) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4687845 0.85 KMT2A (0.54) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4687842 0.85 KMT2A (0.54) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL11394147 0.85 KMT2A (0.60) MEN1KMT2AMAPTMAPK1POLB

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