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Sugi Predict / Compounds / SCHEMBL21067834

SCHEMBL21067834

SCHEMBL21067834

CS(=O)(=O)c1ccc(CN2CCN(c3cn[nH]c3-c3cc(Cl)c(O)cc3O)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 18/20 1.00
▸ HSP90AB1 P08238 18/20 1.00
▸ DRD2 P14416 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13627475 0.82 HSP90AA1 (0.70) HSP90AA1HSP90AB1DRD2
SCHEMBL21067316 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL15225022 0.68 HSP90AA1 (0.52) HSP90AA1HSP90AB1DRD2
SCHEMBL13627483 0.68 HSP90AA1 (0.53) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL20831462 0.67 TRPC5 (0.77) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL13627519 0.67 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL22516947 0.67 DRD2 (0.56) HSP90AA1HSP90AB1DRD2ALDH1A1
SCHEMBL13627494 0.67 HSP90AA1 (0.50) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL13627487 0.66 HSP90AA1 (0.49) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL13627503 0.66 HSP90AA1 (0.52) HSP90AA1HSP90AB1

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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