SCHEMBL5678790

SCHEMBL5678790

O=C(O)Cc1cc2ccccc2[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
KDM4E B2RXH2 9/20 0.55
TSHR P16473 5/20 0.55
BRD4 O60885 1/20 0.54
DAO P14920 1/20 0.54
DDO Q99489 1/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
IL4I1 Q96RQ9 1/20 0.53
HSD17B10 Q99714 3/20 0.52
RXFP1 Q9HBX9 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL30434363 1.00 MAPK1 (0.61) MAPK1NPSR1GRIN2DGRIN3BGRIN1
SCHEMBL4437503 0.84 MAPK1 (0.58) MAPK1NPSR1KDM4ETSHRDAO
Bicarbonate SCHEMBL6993932 0.83 MAPK1 (0.61) MAPK1NPSR1KDM4ETSHRBRD4
SCHEMBL28431176 0.82 BRD4 (0.53) MAPK1NPSR1KDM4ETSHRBRD4
SCHEMBL24852540 0.81 KDM4E (0.59) MAPK1NPSR1KDM4ETSHRBRD4
SCHEMBL8306652 0.81 KDM4E (0.59) MAPK1NPSR1KDM4ETSHRBRD4
SCHEMBL6402311 0.81 DAO (0.59) MAPK1NPSR1KDM4ETSHRBRD4
SCHEMBL3713356 0.80 GRIN2D (0.44) MAPK1NPSR1GRIN2DGRIN3BGRIN1
SCHEMBL31146173 0.80 DAO (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31154599 0.79 KDM4E (0.66) MAPK1NPSR1KDM4ETSHRBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988045-B1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2006-02-08 EP disclosed
US-6632919-B1 Bind Watson-Crick base pairs in a double helix; specific for thymidine Nielsen, Peter (DK) 2003-10-14 US disclosed
US-6617422-B1 Of given formula; stronger binding and greater specificity than oligonucleotides; useful as probes in cloning, blotting procedures, and in applications such as fluorescence in situ hybridization; can use to detect point mutations Nielsen, Peter (DK) 2003-09-09 US disclosed