SCHEMBL4740658

SCHEMBL4740658

COCc1cc(NC(=O)O)ccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.50
MEN1 O00255 10/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
POLB P06746 3/20 0.46
PDGFRA P16234 1/20 0.45
KDR P35968 1/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HTT P42858 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
BLM P54132 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL4740656 1.00 KMT2A (0.50) KMT2AMEN1GAAPKMMAPT
SCHEMBL4687842 0.91 KMT2A (0.54) KMT2AMEN1GAAPKMMAPT
SCHEMBL4687845 0.91 KMT2A (0.54) KMT2AMEN1GAAPKMMAPT
SCHEMBL4690578 0.88 MEN1 (0.45) KMT2AMEN1GAAPKMMAPT
SCHEMBL4690577 0.88 MEN1 (0.45) KMT2AMEN1GAAPKMMAPT
SCHEMBL4242559 0.84 PKM (0.49) KMT2AMEN1GAAPKMMAPT
SCHEMBL4688915 0.83 MEN1 (0.58) KMT2AMEN1GAAPKMMAPT
SCHEMBL4688917 0.83 MEN1 (0.58) KMT2AMEN1GAAPKMMAPT
SCHEMBL4687907 0.83 MEN1 (0.58) KMT2AMEN1GAAPKMMAPT
SCHEMBL4687906 0.83 MEN1 (0.58) KMT2AMEN1GAAPKMMAPT

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