SCHEMBL28614218

SCHEMBL28614218

CC(C)(C)OC(=O)NCc1ccc(-c2cccc(-c3n[nH]c(=O)o3)c2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 17/20 0.46
▸ BRD4 O60885 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CTSD P07339 2/20 0.41

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
SCHEMBL29363056 0.85 NOTUM (0.51) NOTUMCYP1A2
SCHEMBL29366281 0.81 BRD4 (0.49) NOTUMBRD4CREBBPCYP1A2CTSD
SCHEMBL7290389 0.80 NOTUM (0.54) NOTUMCYP1A2CTSD
SCHEMBL28622786 0.76 NOTUM (0.46) NOTUMBRD4CREBBPCYP1A2
SCHEMBL29366780 0.73 NOTUM (0.50) NOTUMCYP1A2
SCHEMBL23825685 0.71 NOTUM (0.54) NOTUMCYP1A2
SCHEMBL10163768 0.70 HDAC1 (0.49) —
SCHEMBL4373210 0.69 CACNA1H (0.46) BRD4
SCHEMBL29726447 0.69 CACNA1H (0.46) —
SCHEMBL15385130 0.68 CACNA1H (0.46) BRD4

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-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 — — CN claimed
CN-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 — — CN disclosed
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