SCHEMBL6273996

SCHEMBL6273996

O=[N+]([O-])c1cc(Cl)c2nnn(O)c2c1.O=[N+]([O-])c1cc(Cl)cc2c1nnn2O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ GPR35 Q9HC97 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.37
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.33
▸ TXNRD3 Q86VQ6 1/20 0.33
▸ TXNRD2 Q9NNW7 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL3286185 0.89 MAPT (0.50) MAPTMAPK1GPR35ALDH1A1MEN1
SCHEMBL3283730 0.89 MAPT (0.65) MAPTMAPK1GPR35ALDH1A1MEN1
SCHEMBL3279594 0.85 MAPT (0.67) MAPTMAPK1GPR35ALDH1A1MEN1
SCHEMBL5702828 0.78 MAPT (0.39) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3278014 0.76 MAPK1 (0.37) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL10398537 0.73 MAPK1 (0.35) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3283141 0.73 MAPK1 (0.65) MAPTMAPK1GPR35ALDH1A1MEN1
SCHEMBL3278985 0.73 MAPT (0.65) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3279016 0.73 MAPT (0.50) MAPTMAPK1GPR35ALDH1A1KDM4E
SCHEMBL3284952 0.73 MAPT (0.50) MAPTMAPK1GPR35ALDH1A1MEN1

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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