SCHEMBL27638682

SCHEMBL27638682

CCCCCCCCCC[N+](C)(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 3/20 0.54
PSMD14 O00487 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
MC4R P32245 1/20 0.39
RAD52 P43351 1/20 0.39
KCNH2 Q12809 2/20 0.39
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL8569325 0.75 DNM1 (0.43) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Cetalkonium SCHEMBL27934910 0.73 DNM1 (0.93) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Ethylene SCHEMBL28190484 0.73 DNM1 (0.93) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Cetalkonium SCHEMBL27672260 0.73 DNM1 (0.93) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL25240887 0.73 DNM1 (1.00) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL18886610 0.73 KDM4E (0.47) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL2741404 0.73 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL8386218 0.73 DNM1 (1.00) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL20607609 0.73 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL8382110 0.73 DNM1 (1.00) DNM1MEN1KMT2AMAPK1SMN1; 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
CN-100543594-C Electrophoto-graphic toner and manufacture method thereof KYOCERA MITA CORP (JP) 2009-09-23 CN disclosed
CN-1831655-A Electrophoto-graphic toner and manufacturing method thereof KYOCERA MITA CORP (JP) 2006-09-13 CN disclosed