SCHEMBL5823893

SCHEMBL5823893

CC(C)(C)OC(=O)N1CCc2ccc(N)cc21.CC(C)(C)OC(=O)n1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ROCK1 Q13464 1/20 0.38
DRD2 P14416 3/20 0.38
HTR7 P34969 2/20 0.38
CHRM4 P08173 1/20 0.38
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
ESR2 Q92731 1/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR9 Q9NR96 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
MPO P05164 1/20 0.34
CDC7 O00311 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
SCHEMBL1097264 0.82 LMNA (0.51) NR1H2LMNAMAPTALDH1A1ROCK1
SCHEMBL1999002 0.82 MAPT (0.47) LMNAMAPTALDH1A1HTR7NPC1
SCHEMBL1098102 0.80 NR1H2 (0.62) NR1H2DRD2HTR7CHRM4NPC1
SCHEMBL31521005 0.80 NR1H2 (0.62) NR1H2DRD2HTR7CHRM4NPC1
SCHEMBL29985319 0.76 MAPT (0.49) LMNAMAPTALDH1A1DRD2HTR7
SCHEMBL395684 0.76 MAPT (0.49) LMNAMAPTALDH1A1DRD2HTR7
SCHEMBL1701324 0.75 LMNA (0.51) LMNAMAPTALDH1A1DRD2NPC1
SCHEMBL2003464 0.75 NR1H2 (0.45) NR1H2ALDH1A1BRD4
SCHEMBL312821 0.73 MAPT (0.47) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL398708 0.73 BRD4 (0.59) NR1H2DRD2HTR7CHRM4NPC1

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-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 EP disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO disclosed