SCHEMBL9728680

SCHEMBL9728680

Cc1ccccc1CN(Cc1ccccc1C)C(C)OC(=O)c1ccc(Cl)cc1.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 4/20 0.45
MAPK1 P28482 2/20 0.45
CXCR3 P49682 1/20 0.39
GPR17 Q13304 2/20 0.39
P2RY2 P41231 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9729529 0.93 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTRECQLMAPT
SCHEMBL9729029 0.91 MAPK1 (0.51) SMN1; SMN2LMNAHTTRECQLMAPT
SCHEMBL9481978 0.85 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTRECQLMAPT
SCHEMBL9728778 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTRECQLMAPT
Hydrochloric Acid SCHEMBL9842485 0.81 PPARG (0.44)
SCHEMBL9729010 0.79 MAPT (0.41) SMN1; SMN2LMNAHTTRECQLMAPT
SCHEMBL9482301 0.77 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTRECQLMAPT
SCHEMBL9480184 0.76 MAPT (0.49) SMN1; SMN2LMNAHTTRECQLMAPT
SCHEMBL9481791 0.73 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTRECQLMAPT
Hydrochloric Acid SCHEMBL9728626 0.73 ALDH1A1 (0.43) SMN1; SMN2LMNAHTTMEN1KMT2A

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