Benzododecinium

Benzododecinium

SCHEMBL9496459

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPK1 P28482 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 3/20 0.52
ALDH1A1 P00352 1/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
CYP19A1 P11511 1/20 0.41
GAA P10253 1/20 0.41
MMP2 P08253 2/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
PSMD14 O00487 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
SCHEMBL133249 1.00 DNM1 (0.54) DNM1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL133248 0.91 DNM1 (0.55) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Benzododecinium SCHEMBL8411871 0.91 DNM1 (0.55) DNM1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL9479956 0.90 DNM1 (0.43) DNM1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL331114 0.84 DNM1 (0.72) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Benzododecinium SCHEMBL330680 0.84 DNM1 (0.72) DNM1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL332022 0.84 DNM1 (0.72) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Benzododecinium SCHEMBL10533275 0.84 DNM1 (0.52) DNM1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL10530235 0.84 DNM1 (0.52) DNM1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL10529349 0.84 DNM1 (0.52) DNM1KMT2AMEN1MAPK1SMN1; SMN2

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 4 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-4840864-A QUATERNARY SALTS; BENZYLDIMETHYLALKYLAMMONIUM NITROBENZENESULFONATES EASTMAN KODAK COMPANY (US) 1989-06-20 US disclosed
US-4834920-A New quaternary ammonium salts EASTMAN KODAK COMPANY (US) 1989-05-30 US disclosed