SCHEMBL28828841

SCHEMBL28828841

Cc1[nH]c(=O)n(CC(=O)O)c1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 8/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
APEX1 P27695 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.40
AKR1B1 P15121 3/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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) AKR1B10POLBTSHRAPEX1HSD17B10
SCHEMBL28828864 0.84 GRIN1 (0.41) GRIN1GRIN2B
SCHEMBL28828790 0.84 TSHR (0.50) POLBTSHRHSD17B10
SCHEMBL28828872 0.83 POLB (0.44) AKR1B10POLBTSHRAPEX1HSD17B10
SCHEMBL28828920 0.75 AVPR2 (0.43)
SCHEMBL28828912 0.75 AVPR2 (0.43)
SCHEMBL28828908 0.73 TSHR (0.50) POLBTSHRHSD17B10
SCHEMBL166328 0.72 MAPT (0.48) AKR1B10POLBTSHRAPEX1HSD17B10
SCHEMBL10469560 0.71 AKR1B10 (0.42) AKR1B10POLBTSHRAPEX1HSD17B10
SCHEMBL28828967 0.71 TSHR (0.48) POLBTSHRHSD17B10

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