SCHEMBL7008607

SCHEMBL7008607

Cc1cc(C)cc(Sc2c(C)c[nH]c(=O)c2[N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GRIN2D O15399 7/20 0.39
GRIN3B O60391 7/20 0.39
GRIN1 Q05586 7/20 0.39
GRIN2A Q12879 7/20 0.39
GRIN2B Q13224 7/20 0.39
GRIN2C Q14957 7/20 0.39
GRIN3A Q8TCU5 7/20 0.39
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NTSR1 P30989 1/20 0.35
ATM Q13315 1/20 0.35
TYMS P04818 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7011304 0.87 SMN1; SMN2 (0.44) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7009673 0.85 KDM4E (0.40) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7014254 0.83 MEN1 (0.43) KDM4ETSHRMEN1KMT2ANTSR1
SCHEMBL7007536 0.79 KDM4E (0.35) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7007761 0.76 MCL1 (0.33) KDM4ETSHRTYMSALDH1A1
SCHEMBL7009670 0.73 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7145066 0.72 GRIN2D (0.52) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8081511 0.72 GFER (0.37) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8081107 0.72 GAA (0.54) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL8072217 0.71 ALDH1A1 (0.49) KDM4EMEN1KMT2ANTSR1ATM

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