SCHEMBL28375751

SCHEMBL28375751

CCCCCCCN1C=Cc2ccccc2C1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
CNR1 P21554 1/20 0.41
BRD4 O60885 1/20 0.38
CCL2 P13500 1/20 0.38
SETD7 Q8WTS6 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDC25A P30304 1/20 0.35
HTR2A P28223 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2453301 0.94 BRD4 (0.40) CNR2CNR1BRD4CCL2ALDH1A1
SCHEMBL10525335 0.88 BRD4 (0.41) BRD4CCL2ALDH1A1CYP2D6GAA
SCHEMBL16872444 0.82 CNR2 (0.41) CNR2CNR1BRD4CCL2SETD7
SCHEMBL11036624 0.77 ATM (0.46) CNR2CNR1BRD4CCL2SETD7
SCHEMBL15923751 0.76 CNR2 (0.36) CNR2CNR1BRD4CCL2SETD7
SCHEMBL28570346 0.76 BRD4 (0.40) CNR2CNR1BRD4CCL2ALDH1A1
SCHEMBL28378808 0.73 BRD4 (0.49) BRD4CCL2ALDH1A1CYP1A2CYP2D6
SCHEMBL10688105 0.70 BRD4 (0.46) BRD4CCL2ALDH1A1CYP2D6GAA
SCHEMBL28374476 0.69 BRD4 (0.41) BRD4CCL2ALDH1A1CYP2D6GAA
SCHEMBL5290380 0.65 ALDH1A1 (0.42) CNR2CNR1ALDH1A1CYP1A2CYP2D6

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