SCHEMBL24844935

SCHEMBL24844935

CCOC(=O)C1CC1c1ccc(Cn2ccnc2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.46
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MC4R P32245 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
BRD4 O60885 1/20 0.36
CYP19A1 P11511 3/20 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
SCHEMBL24845175 0.90 TBXAS1 (0.48) TBXAS1CYP11B1CYP11B2ALDH1A1ABL1
SCHEMBL24844885 0.88 TBXAS1 (0.48) TBXAS1MC4RCYP11B1CYP11B2ALDH1A1
SCHEMBL24845158 0.85 TBXAS1 (0.42) TBXAS1MC4RCYP11B1CYP11B2CYP19A1
SCHEMBL24844749 0.85 TBXAS1 (0.42) TBXAS1MC4RCYP11B1CYP11B2CYP19A1
SCHEMBL24844879 0.85 TBXAS1 (0.42) TBXAS1MC4RCYP11B1CYP11B2CYP19A1
SCHEMBL24845023 0.84 SLC6A4 (0.41) SLC6A4SLC6A3ALDH1A1
SCHEMBL24845314 0.82 SLC6A4 (0.39) SLC6A4SLC6A3ALDH1A1BRD4
SCHEMBL24844864 0.80 TBXAS1 (0.46) TBXAS1CYP11B1CYP11B2ALDH1A1CYP19A1
SCHEMBL24844932 0.79 SLC6A3 (0.46) SLC6A4SLC6A3
SCHEMBL24844756 0.78 SLC6A4 (0.45) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023274257-A1 IMIDAZOLE COMPOUND, AND INTERMEDIATE AND APPLICATION THEREOF 诸葛国琴 2023-01-05 WO disclosed