SCHEMBL8959259

SCHEMBL8959259

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCCCC[N+](C)(C)C.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.46
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APAF1 O14727 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RAD52 P43351 1/20 0.43
NR1I2 O75469 1/20 0.38
KCNH2 Q12809 6/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
ENPP2 Q13822 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
SCHEMBL8959264 0.93 CYP1A2 (0.42) DNM1TSHRCYP2C19MEN1TP53
SCHEMBL8959262 0.85 CYP1A2 (0.47) DNM1TSHRCYP2C19MEN1TP53
Cetrimonium SCHEMBL25190762 0.84 DNM1 (0.44) DNM1TSHRCYP2C19MEN1TP53
Cetrimonium SCHEMBL9814368 0.82 DNM1 (0.43) DNM1MEN1TP53KMT2AAPAF1
Cetrimonium SCHEMBL330808 0.81 LIPG (0.45) DNM1TSHRCYP2C19APAF1HSP90AA1
SCHEMBL330544 0.81 LIPG (0.45) DNM1TSHRCYP2C19APAF1HSP90AA1
SCHEMBL330654 0.81 LIPG (0.45) DNM1TSHRCYP2C19APAF1HSP90AA1
Cetrimonium SCHEMBL331884 0.80 DNM1 (0.50) DNM1TSHRCYP2C19MEN1TP53
SCHEMBL331150 0.80 DNM1 (0.50) DNM1TSHRCYP2C19MEN1TP53
SCHEMBL331099 0.80 DNM1 (0.50) DNM1TSHRCYP2C19MEN1TP53

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