SCHEMBL28375014

SCHEMBL28375014

CC(C)(C)c1ccc2c(N)cc(N)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1I2 O75469 1/20 0.41
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
KIF11 P52732 3/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ALOX5AP P20292 1/20 0.34
KCNH2 Q12809 2/20 0.33

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
SCHEMBL18365182 0.88 ALDH1A1 (0.53) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL23479608 0.77 ALDH1A1 (0.48) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL29389942 0.77 PLAU (0.45) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL678473 0.77 PLAU (0.45) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL29463756 0.77 PLAU (0.45) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL12894536 0.75 ALDH1A1 (0.52) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL23478927 0.74 ALDH1A1 (0.48) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL16978928 0.73 ALDH1A1 (0.46) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL24506587 0.72 ALDH1A1 (0.44) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL28705214 0.71 POLB (0.43) ALDH1A1MAPTMEN1GAAPKM

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
CN-110603257-B Polycyclic aromatic hydrocarbon derivative, fluorescent material, phosphorescent material, and light control material 积水化学工业株式会社 2022-08-16 CN disclosed
CN-110603257-A Polycyclic aromatic hydrocarbon derivative, fluorescent material, phosphorescent material, and light control material 积水化学工业株式会社 2019-12-20 CN disclosed