SCHEMBL28378808

SCHEMBL28378808

CN1C=Cc2ccccc2C1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
CCL2 P13500 1/20 0.49
HTR2A P28223 2/20 0.36
ATM Q13315 1/20 0.35
DRD2 P14416 5/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 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
SCHEMBL10525335 0.78 BRD4 (0.41) BRD4CCL2HTR2AATMDRD2
SCHEMBL28242879 0.77 BRD4 (0.50) BRD4CCL2HTR2AATMDRD2
SCHEMBL10694747 0.77 BRD4 (0.55) BRD4CCL2HTR2AATMDRD2
SCHEMBL2453301 0.76 BRD4 (0.40) BRD4CCL2HTR2ADRD2CYP3A4
SCHEMBL23193879 0.75 BRD4 (0.49) BRD4CCL2HTR2AATMDRD2
SCHEMBL7551620 0.75 BRD4 (0.49) BRD4CCL2HTR2AATMDRD2
SCHEMBL24061842 0.75 BRD4 (0.49) BRD4CCL2HTR2AATMDRD2
SCHEMBL11155913 0.75 BRD4 (0.49) BRD4CCL2HTR2AATMDRD2
SCHEMBL28375751 0.73 CNR2 (0.41) BRD4CCL2HTR2ACYP2D6KCNH2
SCHEMBL29848421 0.73 BRD4 (0.47) BRD4CCL2HTR2AATMDRD2

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
CN-110981799-B Method for synthesizing quinolinone compound or isomers thereof 天津理工大学 2021-02-19 CN claimed
CN-110981799-A Method for synthesizing quinolinone compound or isomers thereof 天津理工大学 2020-04-10 CN claimed
CN-110981799-B Method for synthesizing quinolinone compound or isomers thereof 天津理工大学 2021-02-19 CN disclosed
CN-110981799-A Method for synthesizing quinolinone compound or isomers thereof 天津理工大学 2020-04-10 CN disclosed