SCHEMBL31336610

SCHEMBL31336610

CC(C)(C)OC(=O)NC1CCC(Nc2cccc(C(=O)O)c2Br)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ BTK Q06187 6/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DRD2 P14416 5/20 0.41
▸ PARP1 P09874 2/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL31205938 0.80 KDM1A (0.51) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL15647976 0.79 BTK (0.46) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL15647973 0.79 BTK (0.46) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL15700505 0.79 BTK (0.46) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL13276990 0.78 KDM1A (0.42) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL13276989 0.78 KDM1A (0.42) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL15599599 0.78 KDM1A (0.54) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL23825840 0.77 KDM1A (0.46) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL23825838 0.77 KDM1A (0.46) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL15289109 0.77 KDM1A (0.53) KDM1AMAOBBTKKMT2AL3MBTL1

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
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 — — CN disclosed
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