SCHEMBL28837822

SCHEMBL28837822

CCc1c(F)c(F)c(F)c(-c2ccccc2)c1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 3/20 0.42
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GCGR P47871 2/20 0.34
HSP90AA1 P07900 1/20 0.34
ADORA1 P30542 2/20 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
SCHEMBL31398722 0.88 GCGR (0.37) USP7GRIA2GRIA4DPP4MEN1
SCHEMBL28837826 0.84 GCGR (0.48) USP7GCGRGNRHR
SCHEMBL31403443 0.83 GCGR (0.47) GCGRGNRHR
SCHEMBL31403437 0.83 GCGR (0.47) GCGRGNRHR
SCHEMBL11454320 0.81 NPC1 (0.41) DPP4MEN1NPC1PKMNFKB1
SCHEMBL12835285 0.79 ESR1 (0.42) USP7ESR1ESR2NPC1RAB9A
SCHEMBL28940462 0.75 PTPN5 (0.38) DPP4RAB9AKMT2AL3MBTL1PTGS1
SCHEMBL28619684 0.73 HTT (0.40) MEN1NPC1PKMNFKB1MAPK1
SCHEMBL3794433 0.72 DHODH (0.41) MEN1NPC1PKMNFKB1MAPK1
SCHEMBL9620496 0.72 KDM4E (0.43) USP7GRIA2GRIA4DPP4MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114660197-B Detection method for determining liquid crystal monomer compounds in mammalian organs 南京大学 2023-05-09 CN claimed
CN-114889276-B Flexible bistable film mechanism based on photoresponse and preparation method and application thereof 东华大学 2023-02-24 CN claimed
CN-114264536-B Pretreatment method for detecting liquid crystal monomer in biological sample 南京理工大学 2022-12-13 CN claimed
CN-114889276-A Flexible bistable thin film mechanism based on photoresponse and preparation method and application thereof 东华大学 2022-08-12 CN claimed
CN-114660197-B Detection method for determining liquid crystal monomer compounds in mammalian organs 南京大学 2023-05-09 CN disclosed
CN-114889276-B Flexible bistable film mechanism based on photoresponse and preparation method and application thereof 东华大学 2023-02-24 CN disclosed
CN-114264536-B Pretreatment method for detecting liquid crystal monomer in biological sample 南京理工大学 2022-12-13 CN disclosed
CN-114889276-A Flexible bistable thin film mechanism based on photoresponse and preparation method and application thereof 东华大学 2022-08-12 CN disclosed