SCHEMBL9729029

SCHEMBL9729029

COc1ccc(C(=O)OC(C)N(Cc2ccccc2C)Cc2ccccc2C)cc1.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
BMP1 P13497 2/20 0.45
TAS2R14 Q9NYV8 1/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 3/20 0.42
F2 P00734 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40

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 0.92 SMN1; SMN2 (0.48) MAPK1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9728680 0.91 SMN1; SMN2 (0.50) MAPK1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL9480184 0.85 MAPT (0.49) MAPK1ALDH1A1MAPTSMN1; SMN2BMP1
SCHEMBL9728778 0.82 SMN1; SMN2 (0.42) MAPK1ALDH1A1MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9842730 0.82 TAS2R14 (0.48) ALDH1A1MAPTTAS2R14LMNAKMT2A
SCHEMBL9729010 0.79 MAPT (0.41) MAPK1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9482301 0.77 SMN1; SMN2 (0.52) MAPK1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9481978 0.76 SMN1; SMN2 (0.50) MAPK1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9481791 0.72 SMN1; SMN2 (0.41) MAPK1ALDH1A1MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9728626 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TAS2R14LMNAKMT2A

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