SCHEMBL744416

SCHEMBL744416

COc1c[nH]c(=S)n(CNc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PRNP P04156 1/20 0.38
RPS6KA2 Q15349 1/20 0.37
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HIF1A Q16665 2/20 0.35
PSMD14 O00487 1/20 0.35
MMP2 P08253 1/20 0.35
CES1 P23141 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL26117810 0.80 ALDH1A1 (0.36) DDAH1ALDH1A1KMT2AMEN1PRNP
SCHEMBL8978306 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EKMT2AMEN1PRNP
SCHEMBL355904 0.74 MPO (0.38) DDAH1ALDH1A1KMT2AMEN1PRNP
SCHEMBL27422649 0.68 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AMAPTHPGD
SCHEMBL27783883 0.66 MPO (0.55) DDAH1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4885286 0.61 BCAT2 (0.38) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL136441 0.61 SLC9A1 (0.41) KMT2AMEN1
SCHEMBL9054602 0.59 KDM3B (0.39) ALDH1A1KDM4EKMT2AMAPTHPGD
SCHEMBL30287924 0.57 HIF1A (0.74) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL30089752 0.57 HIF1A (0.74) ALDH1A1KDM4EKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319614-A1 NUCLEIC ACID MOLECULES TARGETING SUPEROXIDE DISMUTASE 1 (SOD1) RXi Pharmaceuticals Corporation (US) 2018-05-16 EP disclosed
WO-2017007813-A1 NUCLEIC ACID MOLECULES TARGETING SUPEROXIDE DISMUTASE 1 (SOD1) RXI PHARMACEUTICALS CORPORATION (US) 2017-01-12 WO disclosed
EP-3010582-A1 METHOD AND APPARATUS FOR CLOSE-FIELD ELECTROPORATION Newsouth Innovations Pty Limited (AU) 2016-04-27 EP disclosed
WO-2014201511-A1 METHOD AND APPARATUS FOR CLOSE-FIELD ELECTROPORATION HOUSLEY GARY DAVID (AU) 2014-12-24 WO disclosed
EP-1789070-B1 TAJ IN NEURONAL FUNCTION BIOGEN IDEC INC (US) 2012-10-24 EP disclosed
EP-2431054-A2 Human tumor necrosis factor delta and epsilon Human Genome Sciences, Inc. (US) 2012-03-21 EP disclosed
EP-1855727-A2 COMPOSITIONS, KITS AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION AND THERAPY OF CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2007-11-21 EP disclosed
WO-2006089087-A2 COMPOSITIONS, KITS AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION AND THERAPY OF CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2006-08-24 WO disclosed
WO-2006076736-A2 METHODS FOR MODULATING ANGIOGENESIS, LYMPHANGIOGENESIS, AND APOPTOSIS WITH APELIN COMPOSITIONS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2006-07-20 WO disclosed
EP-1484335-A1 23 human secreted proteins Human Genome Sciences, Inc. (US) 2004-12-08 EP disclosed
WO-2001045494-A9 PYROPHOSPHATASE STRESS-RELATED PROTEINS AND METHODS OF USE IN PLANTS BASF PLANT SCIENCE GMBH (DE) 2002-05-30 WO disclosed