SCHEMBL28622786

SCHEMBL28622786

CC(C)(C)OC(=O)NCc1cc(-c2n[nH]c(=O)o2)cc(-c2ccccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 8/20 0.46
▸ CYP1A2 P05177 2/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ GFER P55789 1/20 0.37

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
SCHEMBL29366281 0.84 BRD4 (0.49) NOTUMCYP1A2BRD4CREBBPPRMT5
SCHEMBL7290389 0.80 NOTUM (0.54) NOTUMCYP1A2KDM4ELMNAL3MBTL1
SCHEMBL28614218 0.76 NOTUM (0.46) NOTUMCYP1A2BRD4CREBBP
SCHEMBL29363056 0.74 NOTUM (0.51) NOTUMCYP1A2
SCHEMBL20777516 0.72 NPSR1 (0.48) NOTUMCYP1A2ALDH1A1MEN1LMNA
SCHEMBL23825536 0.68 NOTUM (0.52) NOTUMCYP1A2
SCHEMBL3861097 0.68 CYP2C19 (0.53) CYP1A2ALDH1A1MEN1LMNAKMT2A
SCHEMBL524005 0.68 NPSR1 (0.54) CYP1A2KDM4EALDH1A1LMNAHTT
SCHEMBL8366389 0.67 CTSD (0.45) NOTUMKDM4EALDH1A1MEN1KMT2A
SCHEMBL24000658 0.66 PARP1 (0.53) CYP1A2BRD4CREBBPKDM4EALDH1A1

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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