SCHEMBL6581218

SCHEMBL6581218

Cc1cc2[nH]c(N)nc2c(C)c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FABP6 P51161 1/20 0.44
GRIN2D O15399 6/20 0.43
GRIN3B O60391 6/20 0.43
GRIN1 Q05586 6/20 0.43
GRIN2A Q12879 6/20 0.43
GRIN2B Q13224 6/20 0.43
GRIN2C Q14957 6/20 0.43
GRIN3A Q8TCU5 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PNP P00491 2/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL6583417 0.78 MEN1 (0.43) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL6622913 0.77 FABP6 (0.55) MEN1KMT2AFABP6TDP1ALDH1A1
SCHEMBL29669307 0.77 FABP6 (0.55) MEN1KMT2AFABP6ALDH1A1PNP
SCHEMBL6581227 0.76 FABP6 (0.44) MEN1KMT2AFABP6GRIN2DGRIN3B
SCHEMBL6579698 0.74 TDP1 (0.44) MEN1KMT2ATDP1ALDH1A1RECQL
SCHEMBL6579710 0.72 KMT2A (0.77) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL3606399 0.71 ALDH1A1 (0.43) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL6581353 0.71 LCK (0.46) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8872838 0.70 MEN1 (0.56) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL4918988 0.68 TDP1 (0.52) MEN1KMT2AGRIN2DGRIN3BGRIN1

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-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
CN-1284073-A 5- (2-imidazolinylamino) -benzimidazole derivatives, their preparation and their use as alpha-adrenergic receptor agonists with improved metabolic stability PROCTER & GAMBLE (US) 2001-02-14 CN 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
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