SCHEMBL4556834

SCHEMBL4556834

CC(=O)c1ccsc1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.45
PPARG P37231 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
PTK2 Q05397 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
GSK3B P49841 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 2/20 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
SCHEMBL2180242 0.86 KDM4E (0.58) PRNPPPARGNPSR1RXFP1NCOR2
SCHEMBL3621051 0.86 DHODH (0.51) PRNPPPARGNPSR1RXFP1NCOR2
SCHEMBL3375243 0.85 MAPT (0.55) PRNPPPARGNPSR1RXFP1NCOR2
SCHEMBL10983558 0.83 RXFP1 (0.51) PRNPPPARGNPSR1RXFP1NCOR2
SCHEMBL2654173 0.81 KMT2A (0.54) NPSR1ALDH1A1MAPK1HPGDKDM4E
SCHEMBL17873718 0.81 KMT2A (0.50) HPGDKDM4EKMT2AMEN1POLB
SCHEMBL13753345 0.77 PKM (0.47) PRNPPPARGNPSR1RXFP1NCOR2
SCHEMBL13753403 0.77 PRNP (0.43) PRNPPPARGNPSR1RXFP1NCOR2
SCHEMBL10442 0.76
SCHEMBL2928256 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101084235-A 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS INC (US) 2007-12-05 CN claimed
WO-2016150937-A1 METHOD FOR PREPARATION OF THIOPHENECARBONYL CHLORIDES LONZA LTD (CH) 2016-09-29 WO disclosed
CN-103087113-B One class boracic heteronuclear complex of iridium and its preparation method and application NANJING POST & TELECOMMUNICATION UNIV. (CN) 2015-09-02 CN disclosed
CN-103087113-A Boracic heteronuclear iridium complex and preparation method and application thereof UNIV NANJING POSTS & TELECOMM 2013-05-08 CN disclosed
CN-102994071-A Organic and inorganic hybridization phosphorescence silicon dioxide magnetic nanoparticle and preparation and applications thereof UNIV NANJING POSTS & TELECOMM 2013-03-27 CN disclosed
CN-101084235-B 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS INC 2012-10-17 CN disclosed
EP-1572246-B1 NOVEL COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET SA (FR) 2009-02-25 EP disclosed
CN-101084235-A 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS INC (US) 2007-12-05 CN disclosed
EP-1572246-A2 NOVEL COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET (FR) 2005-09-14 EP disclosed
WO-2004058275-A2 COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET (FR) 2004-07-15 WO disclosed