SCHEMBL6581323

SCHEMBL6581323

Cc1c([N+](=O)[O-])ccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
DCTPP1 Q9H773 2/20 0.35
HPGD P15428 1/20 0.35
NR1H2 P55055 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MET P08581 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7484481 0.85 DCTPP1 (0.47) HTTALDH1A1LMNAMAPTDCTPP1
SCHEMBL6142633 0.81 ALDH1A1 (0.38) HTTALDH1A1LMNAMAPTMEN1
SCHEMBL6581361 0.80 NR1H2 (0.39) NR1H2CA12CA9GABRG2GABRB3
SCHEMBL3593049 0.76 LMNA (0.37) HTTALDH1A1LMNAMAPTNR1H2
SCHEMBL6585158 0.74 NR1H2 (0.45) NR1H2CA12CA9L3MBTL1
SCHEMBL6581445 0.74 NR1H2 (0.34) NR1H2CA12CA9GABRG2GABRB3
SCHEMBL25339042 0.73 ALDH1A1 (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL29507029 0.73 ALDH1A1 (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL13426645 0.73 HTT (0.49) HTTALDH1A1LMNAMAPTHPGD
SCHEMBL861356 0.72 NR1H2 (0.35) NR1H2CA12CA9GABRG2GABRB3

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 3 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