SCHEMBL6581353

SCHEMBL6581353

Cc1cc2[nH]c(NC(=O)OC(C)(C)C)nc2c(C)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.46
KCNH2 Q12809 1/20 0.42
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
IRAK4 Q9NWZ3 3/20 0.39
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 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
SCHEMBL6581358 0.83 LCK (0.45) LCKKCNH2TUBB4ATUBBTUBA3C
SCHEMBL6584685 0.82 LCK (0.50) LCKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6582251 0.77 LCK (0.45) LCKKCNH2TUBB4ATUBBTUBA3C
SCHEMBL7478521 0.76 SMN1; SMN2 (0.47) LCKIRAK4MEN1KMT2ARAB9A
SCHEMBL4578043 0.74 IRAK4 (0.49) LCKIRAK4MEN1KMT2ARAB9A
SCHEMBL4577352 0.74 CSNK1D (0.57) LCKIRAK4MEN1KMT2ARAB9A
SCHEMBL6583292 0.71 KCNH2 (0.42) KCNH2MEN1KMT2A
SCHEMBL6581218 0.71 MEN1 (0.46) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL6583417 0.70 MEN1 (0.43) MEN1KMT2ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL31363822 0.70 DHODH (0.46) LCKTUBB4ATUBBTUBA3CTUBA1B

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