SCHEMBL2770236

SCHEMBL2770236

CCN(CCn1cc[n+](C)c1)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 4/20 0.35
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
THRB P10828 2/20 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
SCHEMBL2770238 1.00 KDR (0.47) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
Bromide SCHEMBL2769478 0.99 KDR (0.46) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
Bromide SCHEMBL2769476 0.99 KDR (0.46) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL2771667 0.85 NPC1 (0.34) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL2771669 0.85 NPC1 (0.34) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
Bromide SCHEMBL2768752 0.84 NPC1 (0.33) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
Bromide SCHEMBL2768749 0.84 NPC1 (0.33) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL2768902 0.83 MAPT (0.38) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL2768898 0.83 MAPT (0.38) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
Bromide SCHEMBL2769312 0.82 MAPT (0.38) 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