SCHEMBL6579499

SCHEMBL6579499

Cc1c(NC2NCCN2)c(Br)cc2[nH]c(N)nc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.34
MMP12 P39900 3/20 0.33
MMP2 P08253 1/20 0.32
PIM1 P11309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
FABP6 P51161 1/20 0.32
NUDT1 P36639 1/20 0.31

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
SCHEMBL6581987 0.87 FABP6 (0.40) PNPMMP12FABP6NUDT1
SCHEMBL6581945 0.81 PSMB8 (0.32) ALDH1A1LMNAHPGDAPOBEC3G
SCHEMBL6584951 0.76 MEN1 (0.39) ALDH1A1HPGD
SCHEMBL6579495 0.74 HTR1D (0.50) LMNA
SCHEMBL6622913 0.64 FABP6 (0.55) PNPMMP12ALDH1A1FABP6NUDT1
SCHEMBL29669307 0.64 FABP6 (0.55) PNPMMP12ALDH1A1FABP6NUDT1
SCHEMBL6581982 0.63 HTR1D (0.54) LMNA
SCHEMBL6581894 0.60 ADRB2 (0.35)
SCHEMBL20298067 0.59 PNP (0.44) PNPMMP12MMP2PIM1ALDH1A1
SCHEMBL14247949 0.59 FABP6 (0.72) MMP2ALDH1A1LMNAHPGDAPOBEC3G

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 claimed
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