SCHEMBL9496774

SCHEMBL9496774

CCCCCCCCCCCCCCCCC(C)C(C)(N)Cc1ccccc1.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GRM8 O00222 2/20 0.38
GRM4 Q14833 2/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CYP19A1 P11511 1/20 0.38
HDAC1 Q13547 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
SCHEMBL9497810 0.84 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL4420687 0.84 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL4420683 0.84 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL9396534 0.80 MAPT (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL9496763 0.78 OPRM1 (0.49) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL8411870 0.78 GRM8 (0.42) MAPTMAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL6056306 0.77 CSNK1E (0.50) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL483814 0.77 CSNK1E (0.50) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL10612845 0.77 MMP1 (0.39) ALDH1A1LMNA
SCHEMBL9337344 0.76 CYP19A1 (0.44) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321363-B1 NEW ELECTROSTATOGRAPHIC TONERS AND DEVELOPERS CONTAINING NEW CHARGE-CONTROL AGENTS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-03-31 EP disclosed
EP-0321363-A2 New electrostatographic toners and developers containing new charge-control agents EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-06-21 EP disclosed
US-4758491-A Dry toner and developer composition EASTMAN KODAK COMPANY (US) 1988-07-19 US disclosed