SCHEMBL3393561

SCHEMBL3393561

Cc1cccc(OC(C)(C)Br)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.56
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAOB P27338 2/20 0.43
▸ GAA P10253 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD3 P35462 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL17027024 0.86 LMNA (0.39) ACHELMNAALDH1A1MAOBGAA
SCHEMBL7386225 0.84 ACHE (0.58) ACHELMNAALDH1A1GAAMAPK1
SCHEMBL28963146 0.82 ACHE (0.60) ACHELMNAALDH1A1GAAMAPK1
SCHEMBL5549887 0.81 ACHE (0.54) ACHELMNAALDH1A1MAOBGAA
SCHEMBL8460171 0.81 ACHE (0.54) ACHELMNAALDH1A1MAOBGAA
SCHEMBL16827460 0.81 ACHE (0.54) ACHELMNAALDH1A1GAADRD2
SCHEMBL7561328 0.81 ACHE (0.54) ACHELMNAALDH1A1GAADRD2
SCHEMBL20462014 0.81 ACHE (0.54) ACHELMNAALDH1A1GAAMAPK1
SCHEMBL20752042 0.81 ACHE (0.54) ACHELMNAALDH1A1GAAMAPK1
SCHEMBL10555500 0.78 ACHE (0.56) ACHELMNAALDH1A1GAAMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681864-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-07-22 — — EP disclosed
WO-2019053634-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2019-03-21 — — WO disclosed
EP-2935228-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF Inception 2, Inc. (US) 2015-10-28 — — EP disclosed
WO-2014099503-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2014-06-26 — — WO disclosed
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 — — EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO disclosed
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