SCHEMBL9729010

SCHEMBL9729010

CCCCCCCCCCCCCCOC(C)N(Cc1ccccc1C)Cc1ccccc1C.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
MAPK1 P28482 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
XBP1 P17861 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CYP19A1 P11511 2/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
TBXA2R P21731 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9479948 0.85 MAPT (0.41) MAPTMAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL8970666 0.84 SMN1; SMN2 (0.44) MAPTMAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL9729529 0.80 SMN1; SMN2 (0.48) MAPTMAPK1SMN1; SMN2LMNAHTT
SCHEMBL9728680 0.79 SMN1; SMN2 (0.50) MAPTMAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL9728778 0.79 SMN1; SMN2 (0.42) MAPTMAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL9729029 0.79 MAPK1 (0.51) MAPTMAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL9482049 0.77 MAPT (0.42) MAPTMAPK1SMN1; SMN2LMNAKMT2A
Hydrochloric Acid SCHEMBL9728910 0.77 MAPT (0.38) MAPTLMNANPSR1ALDH1A1
SCHEMBL9498960 0.75 MAPT (0.43) MAPTMAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL9498966 0.75 MAPT (0.43) MAPTMAPK1SMN1; SMN2LMNAKMT2A

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