SCHEMBL1738495

SCHEMBL1738495

O=CCc1ccccc1S

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 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
SCHEMBL8414772 0.98 MAPT (0.32) MAPTHDAC8ALDH1A1MDM4TP53
SCHEMBL7461135 0.82 TDP1 (0.38) ALDH1A1MEN1LMNATHRBBLM
SCHEMBL18268986 0.79
SCHEMBL13035644 0.79 GABRA1 (0.41) MAPTMEN1KMT2A
SCHEMBL4394026 0.77 MAPT (0.31) MAPTHDAC8
SCHEMBL170049 0.76 GABRA1 (0.47) ALDH1A1LMNATDP1
SCHEMBL31201870 0.76 GABRA1 (0.47) ALDH1A1LMNATDP1
SCHEMBL27540352 0.76 MDM4 (0.31) MDM4TP53IDO1
SCHEMBL28973499 0.74 GABRA1 (0.45) ALDH1A1LMNATDP1
SCHEMBL28194954 0.74 GABRA1 (0.45) ALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742039-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2014-06-18 EP disclosed
EP-2393610-B1 COATING AGENT FOR CORROSION-RESISTANT COATINGS BASF COATINGS GMBH (DE) 2014-04-30 EP disclosed
EP-2675812-A1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-12-25 EP disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 WO disclosed
WO-2012112743-A1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 WO disclosed
EP-2393610-A1 COATING AGENT FOR CORROSION-RESISTANT COATINGS BASF Coatings GmbH (DE) 2011-12-14 EP disclosed
WO-2010089015-A1 COATING AGENT FOR CORROSION-RESISTANT COATINGS BASF COATINGS AG (DE) 2010-08-12 WO disclosed
EP-1664011-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-02-25 EP disclosed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP disclosed
EP-1635800-A2 CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2006-03-22 EP disclosed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 WO disclosed
WO-2004110418-A2 CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2004-12-23 WO disclosed