SCHEMBL6583629

SCHEMBL6583629

Cc1c([N+](=O)[O-])ccc2nc(C#N)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
GRM6 O15303 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
MAPT P10636 7/20 0.37
PSMB8 P28062 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 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
SCHEMBL6142558 0.82 TDP1 (0.46) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6579702 0.78 ALDH1A1 (0.48) TDP1MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL6583626 0.77 PSMB8 (0.43) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6583425 0.76 GRIN2D (0.45) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL28193454 0.74 GAA (0.40) TDP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6142337 0.69 RAB9A (0.35) TDP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4743474 0.69 MAPT (0.44) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6142552 0.68 CYP3A4 (0.46) TDP1MAPTSMN1; SMN2RAB9ACYP1A2
SCHEMBL7426298 0.68 ALDH1A1 (0.61) TDP1MAPTPSMB8SMN1; SMN2RAB9A
SCHEMBL7669883 0.67 DYRK1A (0.43) GRIA1GRIA2GRIA3GRIA4GRM6

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 4 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
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