SCHEMBL7669883

SCHEMBL7669883

Cc1c([N+](=O)[O-])ccc2c(C#N)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.43
TDP1 Q9NUW8 1/20 0.40
VCAM1 P19320 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAPT P10636 3/20 0.37
GRIA1 P42261 2/20 0.37
GRIA2 P42262 2/20 0.37
GRIA3 P42263 2/20 0.37
GRIA4 P48058 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3065948 0.79 DYRK1A (0.57) DYRK1ATDP1VCAM1MAPTCYP1A2
SCHEMBL2769856 0.78 CRBN (0.44) DYRK1AVCAM1GRIN2DGRIN3BGRIN1
SCHEMBL29764392 0.78 CRBN (0.44) DYRK1AVCAM1GRIN2DGRIN3BGRIN1
SCHEMBL7661967 0.75 TRIM24 (0.50) TDP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL5418172 0.74 VCAM1 (0.51) TDP1VCAM1GRIN2DGRIN3BGRIN1
SCHEMBL27174970 0.73 VCAM1 (0.42) TDP1VCAM1GRIN2DGRIN3BGRIN1
SCHEMBL4962371 0.73 MAPT (0.40) TDP1VCAM1GRIN2DGRIN3BGRIN1
SCHEMBL6971293 0.73 DYRK1A (0.49) DYRK1AIMPDH2IMPDH1KDM4EALDH1A1
SCHEMBL27174932 0.71 VCAM1 (0.45) TDP1VCAM1GRIN2DGRIN3BGRIN1
SCHEMBL3068718 0.71 GPR35 (0.46) DYRK1ATDP1VCAM1GRIN2DGRIN3B

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
US-6395764-B1 NOSAL DECONGESTION, RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
US-6162818-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 2000-12-19 US disclosed
EP-0944621-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023610-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed