SCHEMBL4604774

SCHEMBL4604774

CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
THRB P10828 3/20 0.41
RECQL P46063 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
APEX1 P27695 1/20 0.41
MMP14 P50281 1/20 0.40
ALDH1A1 P00352 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APP P05067 2/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL136602 0.89 MAPT (0.49) MAPTMEN1KMT2ALMNAHTT
SCHEMBL10309089 0.89 MAPT (0.49) MAPTMEN1KMT2ALMNAHTT
Iodide SCHEMBL29450242 0.87 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
Iodide SCHEMBL1865228 0.87 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
Iodide SCHEMBL29099250 0.87 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
Bromide SCHEMBL4604526 0.87 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
Hydrochloric Acid SCHEMBL4604209 0.87 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
Iodide SCHEMBL29362949 0.87 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6853538 0.87 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
SCHEMBL4604770 0.86 MAPT (0.44) MAPTMEN1KMT2ALMNAHTT

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-1194633-B1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AG (DE) 2008-04-30 EP disclosed
EP-1341503-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-02-13 EP disclosed
EP-1194118-B1 AGENT FOR COLORING FIBERS WELLA AG (DE) 2004-09-15 EP disclosed