SCHEMBL28828872

SCHEMBL28828872

O=C(O)Cn1c(-c2ccc(Cl)cc2)c(Br)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
APEX1 P27695 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1B10 O60218 9/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL28828984 0.85 APEX1 (0.46) POLBTSHRAPEX1HSD17B10AKR1B10
SCHEMBL28829055 0.84 GRIN1 (0.38) GRIN1GRIN2BMEN1KMT2A
SCHEMBL28828841 0.83 AKR1B10 (0.44) POLBTSHRAPEX1HSD17B10AKR1B10
SCHEMBL28828967 0.82 TSHR (0.48) POLBTSHRHSD17B10MEN1KMT2A
SCHEMBL28829068 0.75 AVPR2 (0.41)
SCHEMBL28829065 0.75 AVPR2 (0.41)
SCHEMBL11258178 0.71 APEX1 (0.52) POLBTSHRAPEX1HSD17B10AKR1B10
SCHEMBL166328 0.70 MAPT (0.48) POLBTSHRAPEX1HSD17B10AKR1B10
SCHEMBL28828838 0.69 GRIN1 (0.40) GRIN1GRIN2B
SCHEMBL640508 0.68 CBX7 (0.58) GRIN1GRIN2BGRIN2DGRIN3BGRIA1

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-114835688-B Substituted 4-aryl imidazole-2-ketone derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-08-06 CN disclosed
CN-114835688-A Substituted 4-aryl imidazole-2-ketone derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-08-02 CN disclosed