SCHEMBL29635113

SCHEMBL29635113

Clc1cc(Cl)c2c(Cl)cccc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.50
CYP1A2 P05177 3/20 0.50
AHR P35869 6/20 0.46
NR4A2 P43354 1/20 0.44
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.37
MCL1 Q07820 1/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
PNMT P11086 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
SCHEMBL20356043 1.00 CYP2A6 (0.50) CYP2A6CYP1A2AHRNR4A2CYP3A4
SCHEMBL20356028 0.83 CYP1A2 (0.48) CYP2A6CYP1A2AHRNR4A2CYP3A4
SCHEMBL13121562 0.81 CYP2A6 (0.58) CYP2A6CYP1A2AHRNR4A2MAPK1
SCHEMBL528105 0.77 CYP2A6 (0.52) CYP2A6CYP1A2AHRNR4A2MAPK1
SCHEMBL32666063 0.77 CYP2A6 (0.52) CYP2A6CYP1A2AHRNR4A2MAPK1
SCHEMBL20356035 0.76 CYP1A2 (0.67) CYP2A6CYP1A2AHRNR4A2TSHR
SCHEMBL30366723 0.76 CYP1A2 (0.67) CYP2A6CYP1A2AHRNR4A2TSHR
SCHEMBL14375343 0.75 CYP1A2 (0.65) CYP2A6CYP1A2AHRNR4A2TSHR
SCHEMBL11530157 0.75 CYP1A2 (0.50) CYP2A6CYP1A2AHRNR4A2CYP3A4
SCHEMBL29726567 0.75 AHR (0.53) CYP2A6CYP1A2AHRCYP3A4TSHR

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-114583392-B Slurry of metal-organic framework material-based heat-resistant flame-retardant film, and preparation method and application thereof 广东工业大学 2024-09-13 CN claimed
CN-114583392-A Slurry of metal-organic framework material-based heat-resistant flame-retardant film and preparation method and application thereof 广东工业大学 2022-06-03 CN claimed
CN-114583392-B Slurry of metal-organic framework material-based heat-resistant flame-retardant film, and preparation method and application thereof 广东工业大学 2024-09-13 CN disclosed
CN-114583392-A Slurry of metal-organic framework material-based heat-resistant flame-retardant film and preparation method and application thereof 广东工业大学 2022-06-03 CN disclosed