SCHEMBL7007536

SCHEMBL7007536

CCOCc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1cc(C)cc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPD P32754 1/20 0.31
MAPT P10636 1/20 0.31
GRIN2D O15399 6/20 0.30
GRIN3B O60391 6/20 0.30
GRIN1 Q05586 6/20 0.30
GRIN2A Q12879 6/20 0.30
GRIN2B Q13224 6/20 0.30
GRIN2C Q14957 6/20 0.30
GRIN3A Q8TCU5 6/20 0.30
MEN1 O00255 1/20 0.30
NTSR1 P30989 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL7009673 0.88 KDM4E (0.40) KDM4ESMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL7011711 0.81 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7008607 0.79 KDM4E (0.43) KDM4ESMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL8563133 0.72 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1MAPT
SCHEMBL7007533 0.72 GRIN2D (0.43) SMN1; SMN2KMT2AALDH1A1MAPTGRIN2D
SCHEMBL7009670 0.70 GRIN2D (0.41) SMN1; SMN2KMT2AHSD17B10MAPTGRIN2D
SCHEMBL7011304 0.68 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL7013173 0.67 TYMS (0.32) ALDH1A1MAPT
SCHEMBL7145066 0.64 GRIN2D (0.52) KDM4ESMN1; SMN2KMT2AALDH1A1GRIN2D
SCHEMBL7014254 0.64 MEN1 (0.43) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD

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 7 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
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