SCHEMBL11113955

SCHEMBL11113955

NC(=O)C(CCCCCOc1ccc(C=O)c([N+](=O)[O-])c1)N1CCCC2CCCCC21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL11118319 0.97 HRH3 (0.37) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL11009546 0.87 KDM4E (0.39) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL10376949 0.81 ALDH1A1 (0.34) KDM4EALDH1A1SMN1; SMN2HRH3LMNA
SCHEMBL11116583 0.81 ALDH1A1 (0.36) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10377030 0.79 KDM4E (0.37) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL11114380 0.78 ALDH1A1 (0.34) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10377029 0.78 HRH3 (0.34) KDM4ESMN1; SMN2HRH3MAPTL3MBTL1
SCHEMBL10376947 0.78 KDM4E (0.38) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL10374571 0.77 PDE3B (0.38) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL11008698 0.75 ALDH1A1 (0.34) KDM4EKMT2AMEN1HTTALDH1A1

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