SCHEMBL6579717

SCHEMBL6579717

Cc1cc2nc[nH]c2c(C)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.41
NAMPT P43490 1/20 0.41
XDH P47989 1/20 0.41
GRIN2D O15399 5/20 0.39
GRIN3B O60391 5/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2A Q12879 5/20 0.39
GRIN2B Q13224 5/20 0.39
GRIN2C Q14957 5/20 0.39
GRIN3A Q8TCU5 5/20 0.39
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL27476008 0.75 CYP3A4 (0.50) MEN1KMT2ACYP3A4NAMPTXDH
SCHEMBL4608324 0.75 ALDH1A1 (0.51) MEN1KMT2ACYP3A4NAMPTXDH
SCHEMBL11097776 0.75 PARP1 (0.35) MEN1KMT2APARP1ALDH1A1TDP1
SCHEMBL6579710 0.74 KMT2A (0.77) MEN1KMT2ACYP3A4NAMPTXDH
SCHEMBL6142552 0.72 CYP3A4 (0.46) MEN1KMT2ACYP3A4NAMPTXDH
SCHEMBL6581227 0.72 FABP6 (0.44) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL6581516 0.72 KDM4E (0.39) CYP3A4XDHPARP1ALDH1A1TDP1
SCHEMBL27949142 0.71 MAPT (0.44) MEN1KMT2ACYP3A4GRIN2DGRIN3B
SCHEMBL4918988 0.70 TDP1 (0.52) MEN1KMT2ACYP3A4GRIN2DGRIN3B
SCHEMBL7016746 0.70 CYP3A4 (0.56) MEN1KMT2ACYP3A4NAMPTXDH

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 8 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
CN-1256691-A 5-(2-imidazolinylamino) benzimidazole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2000-06-14 CN 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