SCHEMBL4137522

SCHEMBL4137522

COC(=O)c1cn(-c2ccccc2I)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.66
KMT2A Q03164 11/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
THRB P10828 1/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.48
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL440604 0.83 NR4A2 (0.66) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL17782448 0.83 NR4A2 (0.70) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2000654 0.81 NR4A2 (0.63) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL6298233 0.80 NR4A2 (0.61) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL408819 0.80 NR4A2 (1.00) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3405495 0.79 NR4A2 (0.56) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL13209353 0.77 NR4A2 (0.65) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL4239994 0.76 NR4A2 (0.60) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL4243232 0.76 NR4A2 (0.56) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3681206 0.76 NR4A2 (0.68) NR4A2KMT2AMEN1ALDH1A1KDM4E

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
WO-2009071577-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed