SCHEMBL6583295

SCHEMBL6583295

Cc1nc2cc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c(C)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
MAPT P10636 1/20 0.35
GRIN2D O15399 5/20 0.34
GRIN3B O60391 5/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2A Q12879 5/20 0.34
GRIN2B Q13224 5/20 0.34
GRIN2C Q14957 5/20 0.34
GRIN3A Q8TCU5 5/20 0.34
NR3C2 P08235 1/20 0.34
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MDM2 Q00987 1/20 0.31
MET P08581 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
SCHEMBL6583292 0.81 KCNH2 (0.42) KCNH2MAPTNR3C2
SCHEMBL6585164 0.77 HSP90AA1 (0.36) RAB9ASMN1; SMN2
SCHEMBL6583253 0.75 GABRA1 (0.30)
SCHEMBL7478263 0.73 MEN1 (0.33) MAPTNR3C2
SCHEMBL6581358 0.72 LCK (0.45) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27525212 0.70 NR3C2 (0.42) MAPTNR3C2SMN1; SMN2
SCHEMBL6142337 0.68 RAB9A (0.35) MAPTNR3C2RAB9ASMN1; SMN2MET
SCHEMBL28745064 0.68 MAPT (0.34) KCNH2MAPTNR3C2
SCHEMBL2424903 0.66 SMN1; SMN2 (0.42) MAPTNR3C2RAB9ASMN1; SMN2
SCHEMBL4373422 0.65 ALDH1A1 (0.53) MAPTNR3C2RAB9ASMN1; SMN2

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 1 patent. 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