SCHEMBL8994546

SCHEMBL8994546

C=Cc1ccccc1S(=O)(=O)[O-].CCCCCCCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 3/20 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
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
ESR1 P03372 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRB1 P08588 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
SCHEMBL8685606 0.91 DNM1 (0.42) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5383904 0.86 DNM1 (0.40) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5274177 0.86 DNM1 (0.36) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Cetrimonium SCHEMBL5384565 0.86 DNM1 (0.40) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Sulfuric Acid SCHEMBL2968768 0.83 DNM1 (0.81) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Benzododecinium SCHEMBL11412384 0.83 DNM1 (0.81) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Cetalkonium SCHEMBL14965272 0.83 DNM1 (0.81) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5912948 0.82 KCNH2 (0.41) DNM1HTTKCNH2LMNAHIF1A
SCHEMBL5912632 0.82 KCNH2 (0.41) DNM1HTTKCNH2LMNAHIF1A
Tetrabuthylammonium SCHEMBL5893071 0.81 KCNH2 (0.34) HTTNR1I2KCNH2ALDH1A1LMNA

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-0506782-B1 ANTI-FOULING COATING COMPOSITIONS COURTAULDS COATINGS HOLDINGS (GB) 1996-08-14 EP disclosed
US-5302192-A A marine biocide and hydrolyzable film-forming seawater-erodable polymer having pendant quaternized ammonium sulfate groups; ship hulls; algicides; seaweed; barnacles COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) 1994-04-12 US disclosed
WO-1991009915-A1 ANTI-FOULING COATING COMPOSITIONS COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) 1991-07-11 WO disclosed