SCHEMBL7009965

SCHEMBL7009965

Cc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KMT2A Q03164 6/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
RECQL P46063 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 6/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL8072157 0.81 KMT2A (0.43) MAPTKMT2ALMNAALDH1A1TDP1
SCHEMBL7008564 0.76 LMNA (0.53) MAPTKMT2ALMNAALDH1A1TDP1
SCHEMBL7014254 0.76 MEN1 (0.43) MAPTKMT2ALMNAALDH1A1TDP1
SCHEMBL7010896 0.76 MAPT (0.46) MAPTKMT2ALMNAALDH1A1TDP1
SCHEMBL8081107 0.73 GAA (0.54) MAPTKMT2ALMNAALDH1A1TDP1
SCHEMBL7011304 0.69 SMN1; SMN2 (0.44) KMT2ALMNAALDH1A1TDP1MEN1
SCHEMBL7008607 0.68 KDM4E (0.43) MAPTKMT2AALDH1A1TDP1MEN1
SCHEMBL11343149 0.68 MAPT (0.67) MAPTKMT2ALMNAALDH1A1TDP1
SCHEMBL28366757 0.67 DDAH1 (0.59) MAPTKMT2ALMNAALDH1A1TDP1
SCHEMBL8081511 0.66 GFER (0.37) MAPTKMT2ALMNAALDH1A1NPSR1

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-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