SCHEMBL2768902

SCHEMBL2768902

CCN(CCn1cc[n+](C)c1)c1ccc(N=Nc2nc(Cl)c([N+](=O)[O-])s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
THRB P10828 2/20 0.31
KMT2A Q03164 2/20 0.31
PTBP1 P26599 1/20 0.31

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
SCHEMBL2768898 1.00 MAPT (0.38) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
Bromide SCHEMBL2769312 0.99 MAPT (0.38) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
Bromide SCHEMBL2769310 0.99 MAPT (0.38) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL2770268 0.83 MAPT (0.39) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL2769482 0.83 MAPT (0.37) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL2770269 0.83 MAPT (0.39) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL2769344 0.83 MAPT (0.37) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL2770236 0.83 KDR (0.47) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL2770238 0.83 KDR (0.47) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
Bromide SCHEMBL2770156 0.83 MAPT (0.37) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1825883-B1 Agents for coloring keratin fibers PROCTER & GAMBLE (US) 2010-04-14 EP claimed