SCHEMBL12675260

SCHEMBL12675260

CN(C(=O)OC(C)(C)C)c1ccc(I)nn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.37
▸ BRD4 O60885 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.30
▸ TTK P33981 1/20 0.30
▸ CREBBP Q92793 1/20 0.30

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
SCHEMBL4407354 0.86 SYK (0.34) PAX8L3MBTL1LMNAKMT2AAAK1
SCHEMBL31709504 0.81 PAX8 (0.37) PAX8BRD4LMNAKMT2AAAK1
SCHEMBL3484770 0.81 KMT2A (0.50) PAX8BRD4LMNAKMT2ATTK
SCHEMBL3301532 0.80 L3MBTL1 (0.34) L3MBTL1
SCHEMBL13390733 0.79 GBA1 (0.36) L3MBTL1AAK1
SCHEMBL27506246 0.79 PAX8 (0.36) PAX8BRD4L3MBTL1LMNAKMT2A
SCHEMBL3298954 0.78 L3MBTL1 (0.35) L3MBTL1
SCHEMBL4039230 0.78 PAX8 (0.35) PAX8BRD4
SCHEMBL10317087 0.77 GBA1 (0.37) L3MBTL1AAK1
SCHEMBL13391058 0.77 L3MBTL1 (0.34) L3MBTL1AAK1

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
WO-2011052888-A2 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENTS FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES (주)퓨쳐켐 (KR) 2011-05-05 — — WO disclosed
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