SCHEMBL1024960

SCHEMBL1024960

CC(C)(C)N(C(=O)O)c1cccc(NCCOc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
ALDH1A1 P00352 4/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL1024957 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL1028344 0.84 F2 (0.40) MAPTSMN1; SMN2HTT
SCHEMBL1026635 0.81 CHRNB2 (0.48) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL1026632 0.81 CHRNB2 (0.48) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL1026407 0.81 MEN1 (0.60) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL1026409 0.81 MEN1 (0.60) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL1026801 0.81 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1026803 0.81 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL13623175 0.80 MEN1 (0.51) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL2453168 0.78 TP53 (0.49) MEN1KMT2AALDH1A1POLBMAPT

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-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed