SCHEMBL9728778

SCHEMBL9728778

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 3/20 0.41
MAPT P10636 6/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FKBP1A P62942 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
SCHEMBL9481791 0.86 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTRECQLMAPK1
SCHEMBL9729529 0.86 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTRECQLMAPK1
SCHEMBL9728680 0.83 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTRECQLMAPK1
SCHEMBL9729029 0.82 MAPK1 (0.51) SMN1; SMN2LMNAHTTRECQLMAPK1
Hydrochloric Acid SCHEMBL9728543 0.80 P2RX7 (0.40) MAPTKMT2AALDH1A1
SCHEMBL9729010 0.79 MAPT (0.41) SMN1; SMN2LMNAHTTRECQLMAPK1
SCHEMBL9482301 0.73 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTRECQLMAPK1
SCHEMBL8970666 0.73 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTRECQLMAPK1
SCHEMBL9482049 0.72 MAPT (0.42) SMN1; SMN2LMNAHTTRECQLMAPK1
SCHEMBL9479948 0.71 MAPT (0.41) SMN1; SMN2LMNAHTTRECQLMAPK1

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