SCHEMBL28824231

SCHEMBL28824231

Clc1ccc2sc3ccc(I)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
CYP2A6 P11509 4/20 0.41
ROCK1 Q13464 4/20 0.40
IDO1 P14902 3/20 0.39
TDO2 P48775 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
PSMB8 P28062 1/20 0.36
CYP2C19 P33261 1/20 0.36
CMA1 P23946 1/20 0.36
STK17B O94768 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL13783207 0.87 GPR3 (0.39) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL3258493 0.87 KDM4E (0.61) KDM4ECYP2A6ROCK1IDO1TDO2
SCHEMBL4921439 0.79 BCKDK (0.44) KDM4ECYP2A6ALDH1A1CYP1A2GAA
SCHEMBL22506072 0.78 ALDH1A1 (0.41) ALDH1A1CYP1A2HPGDL3MBTL1
SCHEMBL7912381 0.77 GPR3 (0.61) KDM4EALDH1A1CYP1A2HPGDL3MBTL1
SCHEMBL29828808 0.77 KDM4E (0.72) KDM4ECYP2A6ROCK1IDO1LOXL2
SCHEMBL3958418 0.77 KDM4E (0.72) KDM4ECYP2A6ROCK1IDO1LOXL2
SCHEMBL24343663 0.75 KDM4E (0.50) KDM4ECYP2A6ROCK1IDO1TDO2
SCHEMBL11713878 0.75 KDM4E (0.50) KDM4ECYP2A6ROCK1IDO1TDO2
SCHEMBL28824192 0.75 IDO1 (0.51) KDM4ECYP2A6ROCK1IDO1TDO2

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-114805295-A Method for purifying halogenated dibenzothiophene compound 江苏南大光电材料股份有限公司 2022-07-29 CN claimed
CN-114805295-A Method for purifying halogenated dibenzothiophene compound 江苏南大光电材料股份有限公司 2022-07-29 CN disclosed