SCHEMBL8192075

SCHEMBL8192075

CC(C)(C)OC(=O)NNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
MAPT P10636 7/20 0.51
GAA P10253 6/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
ALOX5 P09917 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 3/20 0.48
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
ALOX12 P18054 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP1 P03956 1/20 0.46

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
SCHEMBL1532248 0.84 KMT2A (0.59) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL2233218 0.84 ALDH1A1 (0.56) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL8183254 0.83 ALOX5 (0.62) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL30999886 0.83 ALOX5 (0.62) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6816134 0.81 MEN1 (0.63) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL7308415 0.81 MGLL (0.53) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL15528796 0.79 MEN1 (0.41) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL31166020 0.79 CYP1A2 (0.55) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL7913870 0.79 CYP1A2 (0.55) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL14518047 0.79 GAA (0.50) ALDH1A1MAPTGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1070490-C Indole derivatives GLAXO WELLCOME SPA (IT) 2001-09-05 CN disclosed
US-6100289-A ADMINISTERING AN ANALGESIC AMOUNT OF EXCITATORY AMINO ACID ANTAGONIST TO MAMMAL GLAXO WELLCOME SPA (IT) 2000-08-08 US disclosed
US-5962496-A CENTRAL NERVOUS SYSTEM DISORDERS GLAXO WELLCOME SPA (IT) 1999-10-05 US disclosed
US-5760059-A ANTAGONISTS OF EXCITATORY AMINO ACIDS, TREATMENT OF NEURODEGENERATIVE DISEASES GLAXO WELLCOME SPA (IT) 1998-06-02 US disclosed
CN-1133042-A Indole derivatives as NMDA antagonists GLAXO SPA (IT) 1996-10-09 CN disclosed