SCHEMBL7145476

SCHEMBL7145476

O=c1[nH]c2ccccc2c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 0.67
GRIN3B O60391 9/20 0.67
GRIN1 Q05586 9/20 0.67
GRIN2A Q12879 9/20 0.67
GRIN2B Q13224 9/20 0.67
GRIN2C Q14957 9/20 0.67
GRIN3A Q8TCU5 9/20 0.67
HCRTR1 O43613 1/20 0.55
PKM P14618 1/20 0.55
PARP1 P09874 2/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TLR9 Q9NR96 2/20 0.48
XBP1 P17861 1/20 0.48
PAX8 Q06710 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL13295327 0.81 HCRTR1 (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3260447 0.80 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30156946 0.78 CHUK (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31179419 0.78 PKM (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24985777 0.78 CHUK (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872873 0.78 GRIN2D (0.82) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1472915 0.77 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873183 0.77 GRIN2D (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25394868 0.77 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5528637 0.76 KDM4E (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-7238809-B2 Process for the preparation of inhibitors of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2007-07-03 US disclosed
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