SCHEMBL30520964

SCHEMBL30520964

Cn1c(S)nnc1C1(c2cccc(Br)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 18/20 0.38
▸ HSD11B2 P80365 2/20 0.35
▸ CTSD P07339 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ NR1I2 O75469 1/20 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
SCHEMBL29614312 0.95 HSD11B1 (0.41) HSD11B1HSD11B2CTSDBACE1NR1I2
SCHEMBL30728152 0.95 HSD11B1 (0.44) HSD11B1HSD11B2CTSDBACE1NR1I2
SCHEMBL25411577 0.95 HSD11B1 (0.44) HSD11B1HSD11B2CTSDBACE1NR1I2
SCHEMBL22832649 0.90 CTSD (0.35) HSD11B1HSD11B2CTSDBACE1
SCHEMBL30374023 0.89 HSD11B1 (0.32) HSD11B1CTSDBACE1
SCHEMBL25178762 0.89 HSD11B1 (0.32) HSD11B1CTSDBACE1
SCHEMBL22832590 0.88 CHRNA1 (0.34) HSD11B1CTSDBACE1
SCHEMBL25179647 0.87 HSD11B1 (0.31) HSD11B1CTSDBACE1
SCHEMBL29605058 0.87 HSD11B1 (0.34) HSD11B1CTSDBACE1
SCHEMBL30374120 0.87 HSD11B1 (0.31) HSD11B1CTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151642-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151640-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
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