SCHEMBL7007533

SCHEMBL7007533

CCOc1c(C)[nH]c(=O)c([N+](=O)[O-])c1Sc1cc(C)cc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.43
GRIN3B O60391 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2B Q13224 4/20 0.43
GRIN2C Q14957 4/20 0.43
GRIN3A Q8TCU5 4/20 0.43
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 4/20 0.36
POLB P06746 2/20 0.35
TYMS P04818 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACMSD Q8TDX5 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
SCHEMBL7009670 0.81 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7009673 0.73 KDM4E (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7007536 0.72 KDM4E (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7145066 0.71 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7008607 0.70 KDM4E (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7010610 0.63 ALDH1A1 (0.46) KMT2APOLBMAPTALDH1A1
SCHEMBL7010909 0.63 PDE3B (0.35) SMN1; SMN2TYMSMAPT
SCHEMBL1502252 0.62 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15955575 0.61 TSHR (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9694476 0.60 GRIN2D (0.46) 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 2 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 claimed
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 claimed