SCHEMBL7682008

SCHEMBL7682008

COc1ccc(OC(=O)CC(=O)Oc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
THRB P10828 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
MAPK1 P28482 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL7682016 0.93 MAPT (0.52) MAPTTHRBMEN1KMT2AAKR1C3
SCHEMBL7682013 0.93 MAPT (0.52) MAPTTHRBMEN1KMT2AAKR1C3
SCHEMBL12704884 0.90 MAPT (0.51) MAPTTHRBMEN1KMT2AAKR1C3
SCHEMBL12993689 0.85 MAPT (0.54) MAPTTHRBMEN1KMT2AAKR1C3
SCHEMBL13041058 0.84 MAPT (0.53) MAPTTHRBMEN1KMT2AAKR1C3
SCHEMBL8583137 0.83 MAPT (0.51) MAPTTHRBMEN1KMT2AAKR1C3
SCHEMBL9035406 0.83 ALDH1A1 (0.54) MAPTTHRBMEN1KMT2AAKR1C3
SCHEMBL7210375 0.82 MAPT (0.52) MAPTTHRBMEN1KMT2AAKR1C3
SCHEMBL11124304 0.82 MAPT (0.48) MAPTTHRBMEN1KMT2AAKR1C3
SCHEMBL9652442 0.82 SMN1; SMN2 (0.48) MAPTMEN1KMT2AAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469181-B1 PREPARING 2-OXINDOLES AND N-HYROXY-2- OXINDOLES VIA REDUCTION OF 2-NITROARYLMALONATE DIESTERS WITHOUT ISOLATION OF INTERMEDIATES CATALYTICA, INC. 2002-10-22 US disclosed