SCHEMBL6579464

SCHEMBL6579464

CC(=O)Nc1cc(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.42
HTT P42858 3/20 0.41
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
SLC9A1 P19634 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
SCHEMBL10620278 0.86 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPSR1HPGDPOLB
SCHEMBL16427650 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPSR1HPGDPOLB
SCHEMBL23924910 0.80 KMT2A (0.50) SMN1; SMN2ALDH1A1NPSR1HPGDPOLB
SCHEMBL3600720 0.80 KDM4E (0.45) SMN1; SMN2ALDH1A1NPSR1HPGDPOLB
SCHEMBL10969677 0.80 KMT2A (0.47) SMN1; SMN2ALDH1A1NPSR1HPGDPOLB
SCHEMBL11641763 0.79 KMT2A (0.40) SMN1; SMN2ALDH1A1NPSR1HPGDPOLB
SCHEMBL21608727 0.78 HTT (0.47) SMN1; SMN2ALDH1A1NPSR1HPGDPOLB
SCHEMBL29250284 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1NPSR1HPGDPOLB
SCHEMBL10510922 0.76 PKM (0.49) SMN1; SMN2ALDH1A1NPSR1HPGDPOLB
SCHEMBL14903460 0.76 RECQL (0.57) SMN1; SMN2ALDH1A1NPSR1HPGDPOLB

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