SCHEMBL8338787

SCHEMBL8338787

COCCOCn1nc2c3c(c([N+](=O)[O-])ccc31)C(=O)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ S100A4 P26447 2/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ NQO1 P15559 1/20 0.35
▸ F2RL3 Q96RI0 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ MAPK13 O15264 1/20 0.33
▸ EIF2AK2 P19525 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ USP8 P40818 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ CSNK2A3 Q8NEV1 1/20 0.32

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
SCHEMBL8340204 0.86 TOP2A (0.41) MAPTS100A4PTPRCMAPK13EIF2AK2
SCHEMBL8336928 0.83 ADORA2A (0.42) POLBMAPTPTPRCMAPK13EIF2AK2
SCHEMBL8340182 0.83 MAOA (0.38) POLBMAPTAPEX1MAPK13EIF2AK2
SCHEMBL8172006 0.80 EIF2AK2 (0.54) POLBMAPTAPEX1MAPK13EIF2AK2
SCHEMBL8336811 0.73 TOP2A (0.45) MAPTMAOBMAPK13EIF2AK2MAPK12
SCHEMBL8337451 0.73 TOP2A (0.45) POLBMAPTMAPK13EIF2AK2MAPK12
SCHEMBL5109566 0.65 MAPT (0.79) POLBMAPTAPEX1CASP6S100A4
SCHEMBL1456997 0.65 CNR2 (0.48) MAPTF2RL3LMNACYP1A2
SCHEMBL8336886 0.63 MAPT (0.55) POLBMAPTAPEX1CASP6S100A4
SCHEMBL2298153 0.62 MAPT (0.69) POLBMAPTAPEX1CASP6S100A4

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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