SCHEMBL11289375

SCHEMBL11289375

O=[C]c1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.58
MAPT P10636 7/20 0.58
GAA P10253 1/20 0.58
ALDH3A1 P30838 1/20 0.58
ALDH1A3 P47895 1/20 0.58
MAPK1 P28482 3/20 0.51
AKR1C3 P42330 1/20 0.49
LMNA P02545 4/20 0.47
HTT P42858 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 6/20 0.46
TSHR P16473 3/20 0.46
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL27676700 0.84 ALDH1A3 (0.54) SMN1; SMN2MAPTGAAALDH3A1ALDH1A3
SCHEMBL427668 0.83 MAPK1 (0.64) SMN1; SMN2MAPTGAAALDH3A1ALDH1A3
SCHEMBL11287649 0.82 KDM4E (0.55) SMN1; SMN2MAPTGAAALDH3A1ALDH1A3
SCHEMBL11280001 0.82 HPGD (0.52) SMN1; SMN2MAPK1LMNAHTTKMT2A
SCHEMBL10953569 0.78 NOTUM (0.51) SMN1; SMN2MAPTGAAAKR1C3LMNA
SCHEMBL517732 0.74 LMNA (0.52) SMN1; SMN2MAPTMAPK1AKR1C3LMNA
SCHEMBL23537930 0.74 SMN1; SMN2 (0.64) SMN1; SMN2MAPTGAAALDH3A1ALDH1A3
SCHEMBL12864867 0.74 MAPT (0.64) SMN1; SMN2MAPTGAAALDH3A1ALDH1A3
SCHEMBL13718469 0.74 MAPT (0.64) SMN1; SMN2MAPTGAAALDH3A1ALDH1A3
SCHEMBL13826326 0.74 SMN1; SMN2 (0.64) SMN1; SMN2MAPTGAAALDH3A1ALDH1A3

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-0059688-A1 Pyridazinones, method for their preparation, pharmaceutical compositions containing these compounds and their use CIBA-GEIGY AG (CH) 1982-09-08 EP disclosed