SCHEMBL29964468

SCHEMBL29964468

CCCNc1ccc(-c2ccc(NCCC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TNIK Q9UKE5 1/20 0.45
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.43
IDO1 P14902 1/20 0.39
APP P05067 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EDNRA P25101 1/20 0.38
LIMK1 P53667 1/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
LMNA P02545 1/20 0.38
KIF11 P52732 2/20 0.37

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
SCHEMBL1924747 0.92 MAPT (0.57) MAPTTNIKGAAIDO1ALDH1A1
SCHEMBL2492357 0.91 MAPT (0.67) MAPTTNIKGAATP53HRH3
SCHEMBL8260133 0.91 ALDH1A1 (0.48) MAPTIDO1ALDH1A1LMNA
SCHEMBL28182009 0.89 CYP3A4 (0.46) MAPTTNIKGAATP53APP
SCHEMBL22182001 0.87 LIMK1 (0.54) MAPTTNIKALDH1A1LIMK1LMNA
SCHEMBL18902087 0.85 GAA (0.70) MAPTGAAAPPALDH1A1
SCHEMBL11020309 0.84 MAPT (0.50) MAPTTNIKGAAIDO1ALDH1A1
SCHEMBL20209646 0.84 UCHL1 (0.45) MAPTTNIKGAAHRH4HRH3
SCHEMBL16101578 0.83 HRH3 (0.53) MAPTHRH4HRH3ALDH1A1LMNA
SCHEMBL8585239 0.82 FYN (0.45) MAPTTNIKLIMK1

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
CN-115141370-A Polyimide, metal-clad laminate, and circuit board 日铁化学材料株式会社 2022-10-04 CN disclosed