SCHEMBL28374476

SCHEMBL28374476

CCCN1C=Cc2ccccc2C1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
CCL2 P13500 1/20 0.41
HTR2A P28223 2/20 0.34
DRD2 P14416 3/20 0.34
SLC6A4 P31645 1/20 0.34
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL16872444 0.88 CNR2 (0.41) BRD4CCL2HTR2AGAAL3MBTL1
SCHEMBL10688105 0.81 BRD4 (0.46) BRD4CCL2HTR2ADRD2SLC6A4
SCHEMBL10525335 0.80 BRD4 (0.41) BRD4CCL2HTR2ADRD2SLC6A4
SCHEMBL28323510 0.79 PRCP (0.35) BRD4CCL2HTR2ADRD2ADRA1A
SCHEMBL24061842 0.78 BRD4 (0.49) BRD4CCL2HTR2ADRD2KDM4E
SCHEMBL28310354 0.77 ALDH1A1 (0.39) BRD4CCL2HTR2AGAALMNA
SCHEMBL28187418 0.71 BRD4 (0.32) BRD4CCL2RET
SCHEMBL2453301 0.71 BRD4 (0.40) BRD4CCL2HTR2ADRD2L3MBTL1
SCHEMBL28570346 0.71 BRD4 (0.40) BRD4CCL2HTR2ADRD2GAA
SCHEMBL28970511 0.69 HTR2A (0.44) BRD4CCL2HTR2ADRD2KDM4E

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-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