SCHEMBL822618

SCHEMBL822618

CCN(C[N+]12CCN(CC1)CC2)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 9/20 0.40
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 8/20 0.36
MAPK1 P28482 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
VCAM1 P19320 1/20 0.34
NQO2 P16083 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
SCHEMBL810948 0.92 LMNA (0.43) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL810947 0.92 LMNA (0.43) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL11410007 0.86 MAPT (0.44) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL11410032 0.86 MAPT (0.44) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL820799 0.82 LMNA (0.42) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL820800 0.82 LMNA (0.42) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL821999 0.82 LMNA (0.41) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL822000 0.82 LMNA (0.41) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL21357364 0.80 ALDH1A1 (0.39) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL12955462 0.80 ALDH1A1 (0.39) LMNAGAAALDH1A1SMN1; SMN2MAPT

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-2399569-A2 Cationic azo dyes with a special grouping of the 4-Aza-1-azoniabicyclo[2.2.2]octane and means of colouring keratinic fibres Henkel AG & Co. KGaA (DE) 2011-12-28 EP disclosed