SCHEMBL9729529

SCHEMBL9729529

Cc1ccccc1CN(Cc1ccccc1C)C(C)OC(=O)c1ccccc1.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9728680 0.93 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1MAPTHTTLMNA
SCHEMBL9729029 0.92 MAPK1 (0.51) SMN1; SMN2MAPK1MAPTHTTLMNA
SCHEMBL9728778 0.86 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1MAPTHTTLMNA
SCHEMBL9482301 0.84 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1MAPTHTTLMNA
SCHEMBL9729010 0.80 MAPT (0.41) SMN1; SMN2MAPK1MAPTHTTLMNA
Hydrochloric Acid SCHEMBL9728626 0.80 ALDH1A1 (0.43) SMN1; SMN2HTTLMNAALDH1A1NPC1
SCHEMBL9481978 0.77 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1MAPTHTTLMNA
SCHEMBL9480184 0.77 MAPT (0.49) SMN1; SMN2MAPK1MAPTHTTLMNA
SCHEMBL9481791 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1MAPTHTTLMNA
SCHEMBL8970666 0.74 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1MAPTHTTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110977-A Improved compatibility with polyester binder EASTMAN KODAK COMPANY (US) 1992-05-05 US disclosed
EP-0442105-A1 Electrostatographic toner particles containing monomeric ester-containing quaternary ammonium salt charge agents EASTMAN KODAK COMPANY (US) 1991-08-21 EP disclosed