SCHEMBL7374010

SCHEMBL7374010

COc1cc(-c2cnc3ccccc3n2)cc([N+](=O)[O-])c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.66
ALDH1A1 P00352 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
LMNA P02545 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HTT P42858 3/20 0.66
GAA P10253 3/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
POLB P06746 2/20 0.48
BLM P54132 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL7367333 0.86 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7366879 0.84 MAPT (0.63) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL9185312 0.76 POLB (0.46) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7367777 0.76 MAPT (0.54) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7368889 0.76 AMY1A (0.60) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL9185291 0.74 TTR (0.57) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL29149165 0.73 NPC1 (0.66) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7369499 0.72 MAPT (0.54) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3004664 0.72 NPC1 (0.58) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7366431 0.72 LARS1 (0.57) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP disclosed