SCHEMBL7764397

SCHEMBL7764397

CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1C[N+](C)(C)CCCCCCCCCCCC.O=[N+]([O-])[O-].O=[N+]([O-])[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
HTT P42858 5/20 0.55
PSMD14 O00487 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MMP2 P08253 1/20 0.46
MC4R P32245 1/20 0.46
RAD52 P43351 1/20 0.46
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
ESR1 P03372 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRB1 P08588 1/20 0.45

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
Nitric Acid SCHEMBL7764404 0.94 DNM1 (0.55) DNM1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL6574075 0.88 DNM1 (0.64) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7760973 0.88 KMT2A (0.71) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8720796 0.88 KMT2A (0.71) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7764453 0.88 KMT2A (0.71) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL10940065 0.88 MEN1 (0.55) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Sulfuric Acid SCHEMBL7765908 0.87 DNM1 (0.58) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6574708 0.87 KMT2A (0.65) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6576259 0.87 KMT2A (0.65) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL1876836 0.87 KMT2A (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825175-B1 Quaternary ammonium disinfectant NICCA CHEMICAL CO (JP) 2001-06-13 EP disclosed
EP-0825175-A1 Quaternary ammonium disinfectant NICCA CHEMICAL CO., LTD. (JP) 1998-02-25 EP disclosed