SCHEMBL8176664

SCHEMBL8176664

CCn1nc2c3c(cccc31)C(=O)c1ccccc1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK2 P19525 2/20 0.66
▸ MAPK12 P53778 2/20 0.66
▸ MAPK13 O15264 1/20 0.66
▸ MAPK11 Q15759 1/20 0.66
▸ MAPK14 Q16539 1/20 0.66
▸ KMT2A Q03164 5/20 0.45
▸ HTT P42858 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ LMNA P02545 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CASP1 P29466 3/20 0.45
▸ CASP7 P55210 3/20 0.45
▸ MAP3K5 Q99683 3/20 0.45
▸ USP2 O75604 3/20 0.45
▸ RECQL P46063 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ BRCA1 P38398 2/20 0.45
▸ YWHAG P61981 1/20 0.45

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
SCHEMBL11120339 0.82 EIF2AK2 (0.62) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL13147782 0.82 EIF2AK2 (0.50) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8171875 0.80 EIF2AK2 (1.00) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8172006 0.79 EIF2AK2 (0.54) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL4846358 0.78 EIF2AK2 (0.53) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL30821077 0.76 EIF2AK2 (0.67) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL10349467 0.71 EIF2AK2 (0.56) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL12960431 0.70 MAPK13 (0.40) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL9286184 0.70 EIF2AK2 (0.53) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL15440804 0.69 HTT (0.67) 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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