SCHEMBL9698705

SCHEMBL9698705

CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O=[N+]([O-])c1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.59
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 2/20 0.56
PSMD14 O00487 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
MC4R P32245 1/20 0.43
RAD52 P43351 1/20 0.43
CYP19A1 P11511 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL10530228 0.88 DNM1 (0.53) DNM1KMT2AMEN1TP53MAPK1
Benzododecinium SCHEMBL10533266 0.88 DNM1 (0.53) DNM1KMT2AMEN1TP53MAPK1
Cetalkonium SCHEMBL14965272 0.83 DNM1 (0.81) DNM1KMT2AMEN1TP53MAPK1
Benzododecinium SCHEMBL11412384 0.83 DNM1 (0.81) DNM1KMT2AMEN1TP53MAPK1
SCHEMBL28353782 0.83 DNM1 (0.81) DNM1KMT2AMEN1TP53MAPK1
Sulfuric Acid SCHEMBL2968768 0.83 DNM1 (0.81) DNM1KMT2AMEN1TP53MAPK1
Cetalkonium SCHEMBL14965243 0.83 DNM1 (0.81) DNM1KMT2AMEN1TP53MAPK1
Benzododecinium SCHEMBL10529403 0.82 DNM1 (0.53) DNM1KMT2AMEN1TP53MAPK1
SCHEMBL10529345 0.82 DNM1 (0.53) DNM1KMT2AMEN1TP53MAPK1
Benzododecinium SCHEMBL10533314 0.82 DNM1 (0.53) DNM1KMT2AMEN1TP53MAPK1

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-0495071-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-07-22 EP disclosed
WO-1992002860-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-02-20 WO disclosed
US-5075190-A Heat and humidity resistant EASTMAN KODAK COMPANY (US) 1991-12-24 US disclosed