SCHEMBL6583292

SCHEMBL6583292

Cc1nc2c(C)c([N+](=O)[O-])c(C(=O)OC(C)(C)C)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
DHODH Q02127 9/20 0.36
MAPT P10636 1/20 0.36
PARP1 P09874 1/20 0.35
NR3C2 P08235 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 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
SCHEMBL6583295 0.81 KCNH2 (0.35) KCNH2MAPTNR3C2
SCHEMBL6585161 0.76 PARP1 (0.46) DHODHPARP1AR
SCHEMBL6583248 0.75 DHODH (0.34) DHODHPARP1
SCHEMBL7478259 0.74 DHODH (0.38) DHODHPARP1
SCHEMBL7333705 0.72 PARP1 (0.62) DHODHPARP1
SCHEMBL6581353 0.71 LCK (0.46) KCNH2MEN1KMT2A
SCHEMBL27525212 0.71 NR3C2 (0.42) MAPTNR3C2MEN1KMT2A
SCHEMBL12999439 0.68 KMT2A (0.42) DHODHMAPTPARP1MEN1KMT2A
SCHEMBL6142336 0.68 SMN1; SMN2 (0.38) KCNH2PARP1NR3C2
SCHEMBL2424903 0.67 SMN1; SMN2 (0.42) MAPTNR3C2MEN1KMT2A

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