SCHEMBL6270733

SCHEMBL6270733

CCOc1cc2nnn(O)c2cc1[N+](=O)[O-].CCc1cc([N+](=O)[O-])c(C)c2c1nnn2O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX12 P18054 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL3285085 0.86 MAPT (0.42) MAPTFBP1SMN1; SMN2POLBALDH1A1
SCHEMBL3286190 0.83 MAPT (0.41) MAPTMAPK1SMN1; SMN2POLBALDH1A1
SCHEMBL30888289 0.69 GAA (0.45) MAPTMAPK1SMN1; SMN2POLBALDH1A1
SCHEMBL29197525 0.69 GAA (0.45) MAPTMAPK1SMN1; SMN2POLBALDH1A1
SCHEMBL3279707 0.67 MAPT (0.39) MAPTMAPK1SMN1; SMN2POLBALDH1A1
SCHEMBL28086988 0.64 MAPT (0.49) MAPTMAPK1SMN1; SMN2POLBALDH1A1
SCHEMBL10827920 0.63 KMT2A (0.45) MAPTSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL3280358 0.63 TDP1 (0.43) MAPTSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL311208 0.63 MAPT (0.46) MAPTMAPK1FBP1SMN1; SMN2POLB
SCHEMBL22076878 0.62 FBP1 (0.55) MAPTFBP1SMN1; SMN2ALDH1A1HTT

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-1606447-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE Lanxess B.V. (NL) 2005-12-21 — — EP disclosed
WO-2004083516-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE LANXESS B.V. (NL) 2004-09-30 — — WO disclosed
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