SCHEMBL6579710

SCHEMBL6579710

Cc1cc2[nH]cnc2c(C)c1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.77
MEN1 O00255 3/20 0.77
GRIN2D O15399 5/20 0.42
GRIN3B O60391 5/20 0.42
GRIN1 Q05586 5/20 0.42
GRIN2A Q12879 5/20 0.42
GRIN2B Q13224 5/20 0.42
GRIN2C Q14957 5/20 0.42
GRIN3A Q8TCU5 5/20 0.42
CYP3A4 P08684 1/20 0.41
NAMPT P43490 1/20 0.41
XDH P47989 1/20 0.41
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
PNP P00491 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
SCHEMBL13186667 0.87 MEN1 (1.00) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL27476007 0.75 MEN1 (0.60) KMT2AMEN1CYP3A4NAMPTXDH
SCHEMBL2888148 0.75 KMT2A (0.65) KMT2AMEN1CYP3A4NAMPTXDH
SCHEMBL11097769 0.75 MEN1 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL6579717 0.74 MEN1 (0.51) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL17591327 0.72 MEN1 (0.56) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL6142551 0.72 MEN1 (0.53) KMT2AMEN1CYP3A4NAMPTXDH
SCHEMBL6581218 0.72 MEN1 (0.46) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL6581511 0.72 MEN1 (0.51) KMT2AMEN1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL20309907 0.71 MEN1 (0.59) KMT2AMEN1GRIN2DGRIN3BGRIN1

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