SCHEMBL3395414

SCHEMBL3395414

Cc1cccc(OC(C)Br)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL17911612 0.87 MTNR1A (0.40) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL542640 0.83 ACHE (0.58) ACHELMNAALDH1A1SMN1; SMN2GAA
SCHEMBL12006 0.83 LMNA (0.59) ACHELMNAALDH1A1SMN1; SMN2GAA
Bromide SCHEMBL27571347 0.81 LMNA (0.57) ACHELMNAALDH1A1SMN1; SMN2GAA
SCHEMBL17395129 0.80 ACHE (0.55) ACHELMNAALDH1A1SMN1; SMN2GAA
SCHEMBL23467899 0.79 ACHE (0.54) ACHELMNAALDH1A1SMN1; SMN2GAA
SCHEMBL15146352 0.79 ACHE (0.54) ACHELMNAALDH1A1SMN1; SMN2GAA
SCHEMBL3169917 0.79 ACHE (0.54) ACHELMNAALDH1A1SMN1; SMN2GAA
SCHEMBL24086431 0.79 ACHE (0.59) ACHELMNAALDH1A1SMN1; SMN2GAA
SCHEMBL4093572 0.79 HSD17B10 (0.45) LMNAALDH1A1GAAMAPK1KMT2A

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 14 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
EP-2822931-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF Inception 2, Inc. (US) 2015-01-14 EP disclosed
WO-2014099503-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2014-06-26 WO disclosed
WO-2013134562-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2013-09-12 WO disclosed
CN-101952260-B 4, 5-dihydro-oxazol-2-yl amine derivatives HOFFMANN LA ROCHE 2013-02-13 CN disclosed
CN-101952260-A 4, 5-dihydro-oxazol-2-ylamine derivs HOFFMANN LA ROCHE 2011-01-19 CN 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
CN-100371319-C Prepn and application of N-[2-(aryloxy)ethyl]-2-(arylthio) benzyl amine derivative UNIV TIANJIN (CN) 2008-02-27 CN disclosed
CN-1706820-A Prepn and application of N-[2-(aryloxy)ethyl]-2-(arylthio) benzyl amine derivative UNIV TIANJIN (CN) 2005-12-14 CN disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed