SCHEMBL4786545

SCHEMBL4786545

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.50
KMT2A Q03164 10/20 0.50
MAPT P10636 6/20 0.50
NPSR1 Q6W5P4 4/20 0.50
RAB9A P51151 3/20 0.50
MAPK1 P28482 3/20 0.50
MYOC Q99972 2/20 0.50
NPC1 O15118 2/20 0.50
PKM P14618 2/20 0.48
GAA P10253 2/20 0.46
POLB P06746 2/20 0.44
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44
HTT P42858 4/20 0.43
LMNA P02545 2/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TBXA2R P21731 2/20 0.43
BLM P54132 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
SCHEMBL4237099 0.88 KMT2A (0.50) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL4233910 0.88 MEN1 (0.54) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL4233889 0.88 KMT2A (0.52) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL4233557 0.87 MEN1 (0.60) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL4232078 0.87 KMT2A (0.55) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL4787992 0.87 KMT2A (0.55) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL4786973 0.87 HSPB1 (0.52) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL4238162 0.85 PKM (0.52) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL4785954 0.85 KMT2A (0.70) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL4242559 0.84 PKM (0.49) MEN1KMT2AMAPTNPSR1RAB9A

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