SCHEMBL7008564

SCHEMBL7008564

Cc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 11/20 0.53
HTT P42858 7/20 0.53
ALDH1A1 P00352 5/20 0.53
NPSR1 Q6W5P4 5/20 0.53
HPGD P15428 4/20 0.53
ALOX12 P18054 1/20 0.53
CCR6 P51684 1/20 0.53
MAPT P10636 9/20 0.48
ATM Q13315 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR4 O95977 1/20 0.42
XBP1 P17861 1/20 0.42
S1PR1 P21453 1/20 0.42
MC4R P32245 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7014254 0.76 MEN1 (0.43) LMNAALDH1A1HPGDMAPTATM
SCHEMBL7009965 0.76 MAPT (0.47) LMNAHTTALDH1A1NPSR1HPGD
SCHEMBL7010896 0.76 MAPT (0.46) LMNAHTTALDH1A1NPSR1HPGD
SCHEMBL8081107 0.74 GAA (0.54) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL7011304 0.70 SMN1; SMN2 (0.44) LMNAALDH1A1HPGDATMKMT2A
SCHEMBL7008607 0.69 KDM4E (0.43) ALDH1A1MAPTATMKMT2AMEN1
SCHEMBL8558318 0.69 MAPT (0.66) LMNAHTTALDH1A1NPSR1HPGD
SCHEMBL13802573 0.68 LMNA (0.68) LMNAHTTALDH1A1NPSR1HPGD
SCHEMBL3792726 0.68 BCHE (0.68) ALDH1A1NPSR1HPGDMAPTKMT2A
SCHEMBL8081511 0.67 GFER (0.37) LMNAHTTALDH1A1NPSR1MAPT

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