SCHEMBL9017201

SCHEMBL9017201

CCN(CC)c1ccc(C(=C/C=C/c2ccc(/C=C/C=C(c3ccc(N(CC)CC)cc3)c3ccc(N(CC)CC)cc3)cc2)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
MAPT P10636 9/20 0.51
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
MAPK1 P28482 6/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
POLB P06746 5/20 0.51
RECQL P46063 3/20 0.51
USP2 O75604 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TLR9 Q9NR96 1/20 0.51
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
GAA P10253 4/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 4/20 0.42
ESRRG P62508 3/20 0.42
CYP3A4 P08684 3/20 0.42

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
SCHEMBL9017203 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9017226 0.94 APP (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6856526 0.92 ESRRG (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6856524 0.92 ESRRG (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9017243 0.89 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9017236 0.88 CNR2 (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9017218 0.84 CHRM2 (0.45) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9017216 0.84 CHRM2 (0.45) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL14283581 0.84 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10679299 0.83 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486441-A CHARGE TRANSPORT TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-01-23 US disclosed
US-5463128-A Charge transporting material TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-10-31 US disclosed