SCHEMBL7010702

SCHEMBL7010702

CCc1c(C)[nH]c(=O)c([N+](=O)[O-])c1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 14/20 0.48
GRIN3B O60391 14/20 0.48
GRIN1 Q05586 14/20 0.48
GRIN2A Q12879 14/20 0.48
GRIN2B Q13224 14/20 0.48
GRIN2C Q14957 14/20 0.48
GRIN3A Q8TCU5 14/20 0.48
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL9846189 0.83 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7012269 0.81 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13424741 0.76 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15459459 0.74 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28667617 0.71 TSHR (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7009670 0.70 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14380699 0.70 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7410792 0.69 POLB (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10868190 0.69 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5187728 0.68 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-0843663-B9 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NAT RECH SCIENT (FR) 2003-10-29 EP disclosed
EP-0843663-B1 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NAT RECH SCIENT (FR) 2003-04-09 EP disclosed
US-6015820-A VIRICIDES; AIDS TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-01-18 US disclosed
EP-0843663-A1 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-05-27 EP disclosed
WO-1997005113-A1 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1997-02-13 WO disclosed