SCHEMBL8340204

SCHEMBL8340204

COCCOCn1nc2c3c(cccc31)C(=O)c1c-2cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 12/20 0.41
▸ S100A4 P26447 2/20 0.38
▸ PTPRC P08575 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ EIF2AK2 P19525 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ RXFP1 Q9HBX9 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
SCHEMBL8338787 0.86 POLB (0.39) TOP2AS100A4PTPRCMAPK13EIF2AK2
SCHEMBL8337451 0.83 TOP2A (0.45) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL8336811 0.83 TOP2A (0.45) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL8172006 0.82 EIF2AK2 (0.54) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL8340182 0.73 MAOA (0.38) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL8336928 0.73 ADORA2A (0.42) TOP2APTPRCMAPK13EIF2AK2MAPK12
SCHEMBL25173418 0.66 NPC1 (0.32) RECQL
SCHEMBL25458468 0.65 DCTPP1 (0.31) RECQL
SCHEMBL2347136 0.65 S100A4 (0.84) S100A4PTPRCAURKAMAPTRECQL
SCHEMBL14910262 0.65 KDR (0.37) MAPTRECQLKMT2A

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
US-7335676-B2 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-02-26 — — US disclosed
WO-2004084891-A1 METHODS FOR TREATING INFLAMMATORY CONDITIONS OR INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 — — WO disclosed
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