SCHEMBL8959272

SCHEMBL8959272

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)Cc1ccc(C)cc1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
KCNH2 Q12809 3/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TTR P02766 1/20 0.38
SNCA P37840 1/20 0.37
DNM1 Q05193 2/20 0.37
CNR2 P34972 3/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8959251 0.95 TTR (0.40) HTTKCNH2TSHRCYP2C19LMNA
SCHEMBL8959266 0.88 KCNH2 (0.50) HTTKCNH2TSHRCYP2C19LMNA
SCHEMBL8959248 0.82 KCNH2 (0.44) HTTKCNH2TSHRCYP2C19LMNA
SCHEMBL8959262 0.79 CYP1A2 (0.47) TSHRCYP2C19MEN1KMT2ACYP1A2
SCHEMBL8640430 0.76 DNM1 (0.42) TSHRCYP2C19CYP2C9MEN1KMT2A
Sulfuric Acid SCHEMBL11812340 0.76 DNM1 (0.58) HTTMEN1KMT2ACYP1A2TP53
SCHEMBL446313 0.76 TNNI3 (0.44) HTTMEN1KMT2ACYP1A2TP53
Tetrabuthylammonium SCHEMBL2641498 0.75 CA9 (0.44) TSHRCYP2C19CYP2C9MEN1KMT2A
SCHEMBL2150788 0.74 CNR2 (0.45) HTTKCNH2TSHRCYP2C19LMNA
SCHEMBL2150351 0.74 LMNA (0.52) HTTKCNH2TSHRCYP2C19LMNA

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
US-5545502-A CONTAINING SPECIFIED QUATERNARY AMMONIUM SALT AS CHARGE CONTROL AGENT MITSUBISHI CHEMICAL CORPORATION (JP) 1996-08-13 US disclosed
EP-0602566-B1 Electrostatic image-developing toner MITSUBISHI CHEM CORP (JP) 1996-07-31 EP disclosed
EP-0602566-A1 Electrostatic image-developing toner Mitsubishi Chemical Corporation (JP) 1994-06-22 EP disclosed