SCHEMBL6152006

SCHEMBL6152006

CCN(CC)CCCNc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 6/20 0.45
APP P05067 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.40
KAT2B Q92831 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL14662016 0.86 MAPT (0.48) SLC2A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4954691 0.86 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4953094 0.84 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4953322 0.84 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL14003620 0.83 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL14003613 0.82 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4864035 0.81 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4858984 0.81 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL5157661 0.81 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL14266750 0.80 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568686-A1 n-alkylaminated secondary paraphenylendiamine, which is ortho- and/or meta-substituted, dying composition comprising this paraphenylendiamine, methods based on this composition and uses L'OREAL (FR) 2005-08-31 EP claimed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
EP-1568686-A1 n-alkylaminated secondary paraphenylendiamine, which is ortho- and/or meta-substituted, dying composition comprising this paraphenylendiamine, methods based on this composition and uses L'OREAL (FR) 2005-08-31 EP disclosed
EP-1568686-A1 n-alkylaminated secondary paraphenylendiamine, which is ortho- and/or meta-substituted, dying composition comprising this paraphenylendiamine, methods based on this composition and uses L'OREAL (FR) 2005-08-31 EP disclosed