SCHEMBL12366196

SCHEMBL12366196

[C-]#[N+]CC(=O)NCc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 1/20 0.58
GAA P10253 1/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
MTNR1A P48039 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
BCHE P06276 1/20 0.48
CA2 P00918 1/20 0.48
P2RX7 Q99572 1/20 0.47
ATM Q13315 1/20 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
SCHEMBL13073769 0.80 KMT2A (0.59) KMT2AMEN1MAPTGAACHRNB2
SCHEMBL1284855 0.80 KMT2A (0.59) KMT2AMEN1MAPTGAACHRNB2
SCHEMBL22323341 0.79 MEN1 (0.66) KMT2AMEN1MAPTGAACHRNB2
SCHEMBL12366090 0.78 ALDH1A1 (0.57) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL12366181 0.78 KMT2A (0.54) KMT2AMEN1MAPTLMNACA2
SCHEMBL12366141 0.78 NPC1 (0.62) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL12366133 0.78 HPGD (0.54) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL5697805 0.78 MEN1 (0.57) KMT2AMEN1MAPTGAACHRNB2
SCHEMBL17537295 0.78 KMT2A (0.57) KMT2AMEN1MAPTGAACHRNB2
SCHEMBL1566774 0.77 MEN1 (0.64) KMT2AMEN1MAPTGAACHRNB2

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
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed