SCHEMBL28313158

SCHEMBL28313158

Clc1ccc(-c2ccnc3c2ccc2c(-c4ccc(Cl)cc4)ccnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.47
TLR8 Q9NR97 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TOP2A P11388 2/20 0.41
LRRK2 Q5S007 1/20 0.41
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MAPT P10636 3/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 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
SCHEMBL10032425 0.81 IKBKB (0.52) GLO1ALDH1A1TOP2ALRRK2CCR1
SCHEMBL31403405 0.79 RPS6KA3 (0.48) TLR8TOP2ACCR1CCR5CCR8
SCHEMBL3356148 0.79 GLO1 (0.43) GLO1KDM4EALDH1A1TOP2ACCR1
SCHEMBL3357430 0.79 TOP2A (0.41) ALDH1A1LMNATOP2ALRRK2CCR1
SCHEMBL13474681 0.79 TOP2A (0.41) GLO1TLR8TOP2ALRRK2CCR1
SCHEMBL3289250 0.79 PIK3CA (0.53) GLO1TOP2ALRRK2CCR1CCR5
SCHEMBL14552117 0.79 COMT (0.57) TLR8LMNATOP2ALRRK2CCR1
SCHEMBL21081225 0.79 GLO1 (0.61) GLO1KDM4EALDH1A1LMNATDP1
SCHEMBL28868 0.78 IKBKB (0.53) GLO1ALDH1A1TOP2ALRRK2CCR1
SCHEMBL28859500 0.78 IKBKB (0.53) GLO1ALDH1A1TOP2ALRRK2CCR1

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-107312164-B Conjugated polymer and its polymerization and application based on ferrocene and phenanthroline derivative 浙江华纯有机光电材料有限公司 2019-08-20 CN disclosed