SCHEMBL9286184

SCHEMBL9286184

C=CCNn1nc2c3c(cccc31)C(=O)c1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK2 P19525 2/20 0.53
▸ MAPK12 P53778 2/20 0.53
▸ MAPK13 O15264 1/20 0.53
▸ MAPK11 Q15759 1/20 0.53
▸ MAPK14 Q16539 1/20 0.53
▸ LMNA P02545 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ HTT P42858 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ CASP3 P42574 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ MAP3K5 Q99683 3/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ CASP1 P29466 4/20 0.37
▸ CASP7 P55210 4/20 0.37

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
SCHEMBL8171875 0.70 EIF2AK2 (1.00) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL30821077 0.70 EIF2AK2 (0.67) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8176664 0.70 EIF2AK2 (0.66) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL11120339 0.68 EIF2AK2 (0.62) EIF2AK2MAPK12MAPK13MAPK11MAPK14
Anthraquinone SCHEMBL11789994 0.67 KMT2A (0.56) LMNAKMT2AHTTALDH1A1L3MBTL1
SCHEMBL10349467 0.66 EIF2AK2 (0.56) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL4846358 0.64 EIF2AK2 (0.53) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8172006 0.62 EIF2AK2 (0.54) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL628691 0.61 ADRA2A (0.43) LMNAKMT2AALDH1A1MEN1CASP1
SCHEMBL16297128 0.61 LMNA (0.77) LMNAKMT2AHTTALDH1A1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497809-B1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER MANNHEIM ITALIA (IT) 1995-06-28 — — EP disclosed
WO-1991006540-A1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-05-16 — — WO disclosed
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