SCHEMBL4787992

SCHEMBL4787992

CCC(CC)NC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.55
MEN1 O00255 9/20 0.55
MAPT P10636 7/20 0.55
MAPK1 P28482 3/20 0.55
POLB P06746 2/20 0.55
BLM P54132 1/20 0.55
PKM P14618 2/20 0.55
PDGFRA P16234 2/20 0.54
KDR P35968 2/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYOC Q99972 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
THRB P10828 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
ALOX5 P09917 1/20 0.49
RAF1 P04049 1/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL4232078 0.96 KMT2A (0.55) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL4237099 0.91 KMT2A (0.50) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL4238711 0.89 MEN1 (0.48) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL4233910 0.88 MEN1 (0.54) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL4233889 0.88 KMT2A (0.52) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL4235514 0.88 MEN1 (0.56) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL4233557 0.88 MEN1 (0.60) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL4786973 0.88 HSPB1 (0.52) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL4242559 0.87 PKM (0.49) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL4786545 0.87 MEN1 (0.50) KMT2AMEN1MAPTMAPK1POLB

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