SCHEMBL11118319

SCHEMBL11118319

NC(=O)C(CCCOc1ccc(C=O)c([N+](=O)[O-])c1)N1CCCC2CCCCC21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
KDM4E B2RXH2 7/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
ERN1 O75460 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11113955 0.97 KDM4E (0.35) HRH3KDM4EMEN1KMT2AHTT
SCHEMBL11009546 0.89 KDM4E (0.39) HRH3KDM4EMEN1KMT2AHTT
SCHEMBL10376949 0.82 ALDH1A1 (0.34) HRH3KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL11114380 0.81 ALDH1A1 (0.34) HRH3KDM4EMEN1KMT2AALDH1A1
SCHEMBL11116583 0.79 ALDH1A1 (0.36) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10374571 0.78 PDE3B (0.38) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL10376947 0.77 KDM4E (0.38) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL10376946 0.77 HRH3 (0.37) HRH3KDM4EMEN1KMT2AHTT
SCHEMBL11008698 0.77 ALDH1A1 (0.34) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL10377030 0.77 KDM4E (0.37) KDM4EMEN1KMT2AHTTALDH1A1

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-0116948-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-(2,1-b)quinazolinyl)-oxyalkyl-amides SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed