SCHEMBL7010896

SCHEMBL7010896

Cc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.46
LMNA P02545 6/20 0.46
KMT2A Q03164 6/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 8/20 0.43
HPGD P15428 7/20 0.43
AGTR1 P30556 5/20 0.43
NPSR1 Q6W5P4 5/20 0.43
PKM P14618 4/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2D6 P10635 4/20 0.43
GAA P10253 4/20 0.43
MAPK1 P28482 4/20 0.43
TLR9 Q9NR96 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
NPC1 O15118 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
SCHEMBL7008564 0.76 LMNA (0.53) MAPTLMNAKMT2AHTTSMN1; SMN2
SCHEMBL7014254 0.76 MEN1 (0.43) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7009965 0.76 MAPT (0.47) MAPTLMNAKMT2AHTTSMN1; SMN2
SCHEMBL8081107 0.73 GAA (0.54) MAPTLMNAKMT2AHTTSMN1; SMN2
SCHEMBL7011304 0.72 SMN1; SMN2 (0.44) LMNAKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8846087 0.71 MAPT (0.54) MAPTLMNAKMT2AHTTSMN1; SMN2
SCHEMBL10752315 0.69 MAPT (0.63) MAPTLMNAKMT2AHTTSMN1; SMN2
SCHEMBL8081511 0.68 GFER (0.37) MAPTLMNAKMT2AHTTSMN1; SMN2
SCHEMBL7008607 0.68 KDM4E (0.43) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11341135 0.68 MMP13 (0.59) MAPTLMNAKMT2AHTTSMN1; SMN2

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 4 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
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