SCHEMBL8172006

SCHEMBL8172006

COCCOCn1nc2c3c(cccc31)C(=O)c1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK2 P19525 2/20 0.54
▸ MAPK12 P53778 2/20 0.54
▸ MAPK13 O15264 1/20 0.54
▸ MAPK11 Q15759 1/20 0.54
▸ MAPK14 Q16539 1/20 0.54
▸ TOP2A P11388 9/20 0.40
▸ USP8 P40818 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ APEX1 P27695 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ PLK4 O00444 1/20 0.35

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
SCHEMBL8336811 0.85 TOP2A (0.45) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8337451 0.85 TOP2A (0.45) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8340182 0.83 MAOA (0.38) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8336928 0.83 ADORA2A (0.42) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8340204 0.82 TOP2A (0.41) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8338787 0.80 POLB (0.39) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8176664 0.79 EIF2AK2 (0.66) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL11120339 0.74 EIF2AK2 (0.62) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8171875 0.71 EIF2AK2 (1.00) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL4846358 0.70 EIF2AK2 (0.53) EIF2AK2MAPK12MAPK13MAPK11MAPK14

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
WO-2008091925-A2 TREATMENT OF AORTIC DISSECTION OR ANEURYSM COOK INCORPORATED (US) 2008-07-31 — — WO disclosed
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