SCHEMBL16712352

SCHEMBL16712352

C/C=C/c1c(OC(N)=O)c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
KLK7 P49862 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33

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
SCHEMBL16712338 0.89 PPARG (0.40) PPARGMEN1KMT2APOLBKLK7
SCHEMBL16712301 0.89 PPARG (0.40) PPARGMEN1KMT2APOLBKLK7
SCHEMBL16712329 0.86 NPSR1 (0.38) PPARGKMT2APOLBNPSR1HDAC6
SCHEMBL1077207 0.81 EGFR (0.41) MEN1KMT2APOLBKLK7THRB
SCHEMBL30385663 0.81 EGFR (0.41) MEN1KMT2APOLBKLK7THRB
SCHEMBL1077205 0.81 EGFR (0.41) MEN1KMT2APOLBKLK7THRB
SCHEMBL16712327 0.81 PPARG (0.41) PPARGKMT2APOLBNPSR1HPGD
SCHEMBL1075588 0.78 GFER (0.47) PPARGMEN1KMT2APOLBKLK7
SCHEMBL2313630 0.78 GFER (0.47) PPARGMEN1KMT2APOLBKLK7
SCHEMBL1075587 0.78 GFER (0.47) PPARGMEN1KMT2APOLBKLK7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP claimed