SCHEMBL3973855

SCHEMBL3973855

CCc1cc(-n2nnc(S)c2-c2cccc3[nH]c(C(=O)N(C)C)cc23)c(O)cc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DAO P14920 1/20 0.32
DDO Q99489 1/20 0.32
NUDT1 P36639 1/20 0.32
HTR6 P50406 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
HSP90AA1 P07900 3/20 0.31

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
SCHEMBL5080669 0.86 HSP90AA1 (0.34) NUDT1HRH4CCNKCDK12HSP90AA1
SCHEMBL3973742 0.83 DAO (0.34) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1148321 0.81 HSP90AA1 (0.34) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1148697 0.79 ALDH1A1 (0.41) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1344006 0.79 HSP90AA1 (0.32) HSP90AA1
SCHEMBL3973482 0.77 KDM4E (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1148442 0.76 HSP90AA1 (0.35) ALDH1A1MAPTHSD17B10HSP90AA1
SCHEMBL2596692 0.76 HSP90AA1 (0.34) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL1148410 0.73 KDM4E (0.32) KDM4EMAPTHPGDHSD17B10HSP90AA1
SCHEMBL1148636 0.73 IDH1 (0.37) KDM4EALDH1A1HPGDHSD17B10HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963366-A4 METHODS FOR CYCLIC NUCLEOTIDE DETERMINATION PROMEGA CORP (US) 2009-05-06 EP disclosed
EP-1963366-A2 METHODS FOR CYCLIC NUCLEOTIDE DETERMINATION PROMEGA CORPORATION (US) 2008-09-03 EP disclosed
WO-2007067557-A2 METHODS FOR CYCLIC NUCLEOTIDE DETERMINATION PROMEGA CORPORATION (US) 2007-06-14 WO disclosed
EP-1583541-A2 COMPOUNDS AND METHODS FOR INCREASING NEUROGENESIS Neuronova AB (SE) 2005-10-12 EP disclosed
WO-2004045592-A2 COMPOUNDS AND METHODS FOR INCREASING NEUROGENESIS NEURONOVA AB (SE) 2004-06-03 WO disclosed