SCHEMBL6591971

SCHEMBL6591971

O=c1nc(C=Cc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
ALDH1A1 P00352 4/20 0.67
LMNA P02545 4/20 0.67
TNF P01375 3/20 0.67
NOD1 Q9Y239 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HTT P42858 2/20 0.67
HPGD P15428 2/20 0.67
HSPA1A P0DMV8 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
POLB P06746 4/20 0.60
RECQL P46063 1/20 0.60
KDM4E B2RXH2 3/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 2/20 0.52
NFE2L2 Q16236 2/20 0.50
GAA P10253 1/20 0.50
MCL1 Q07820 1/20 0.49

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
SCHEMBL6591967 1.00 MAPT (0.67) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6595378 0.82 KDM4E (0.61) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6595374 0.82 KDM4E (0.61) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6594497 0.81 ALDH1A1 (0.60) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6594146 0.81 KDM4E (0.63) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6594142 0.81 KDM4E (0.63) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6594494 0.81 ALDH1A1 (0.60) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6596055 0.81 MAPT (1.00) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6596047 0.81 MAPT (1.00) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6595069 0.80 MAPT (0.66) MAPTALDH1A1LMNATNFNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP claimed
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO disclosed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed