SCHEMBL6579700

SCHEMBL6579700

Cc1cc(Cl)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 4/20 0.54
GRIN2D O15399 3/20 0.44
GRIN3B O60391 3/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
GRIN2B Q13224 3/20 0.44
GRIN2C Q14957 3/20 0.44
GRIN3A Q8TCU5 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL4918988 0.84 TDP1 (0.52) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL11105010 0.82 TSHR (0.57) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL10976188 0.79 TSHR (0.59) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL29712918 0.79 TSHR (0.72) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL11049733 0.79 TSHR (0.65) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL23214259 0.79 TSHR (0.48) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL11299940 0.79 ALDH1A1 (0.54) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL29796101 0.79 TSHR (0.48) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL31093995 0.79 ALDH1A1 (0.54) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL12661870 0.79 TSHR (0.72) ALDH1A1TSHRGRIN2DGRIN3BGRIN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 EP disclosed
US-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 US disclosed
EP-1037887-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-27 EP disclosed
EP-0975627-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2000-02-02 EP disclosed
WO-1999026942-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 WO disclosed
WO-1998046595-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-10-22 WO disclosed