SCHEMBL8694063

SCHEMBL8694063

O=C1Nc2ccccc2C(O)C1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
KMT2A Q03164 4/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
TDO2 P48775 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GSK3B P49841 1/20 0.37
USP2 O75604 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
PTPN7 P35236 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL29219181 0.76 IDO1 (0.45) IDO1KMT2AMAPTMEN1GAA
SCHEMBL9379449 0.73 EGFR (0.50) IDO1KMT2AMAPTGAATDO2
SCHEMBL17049260 0.73 IDO1 (0.49) IDO1MAPTGAATDO2ALDH1A1
SCHEMBL87439 0.71 IDO1 (0.50) IDO1MAPTGAATDO2ALDH1A1
SCHEMBL20600322 0.71 IDO1 (0.50) IDO1MAPTGAATDO2ALDH1A1
SCHEMBL29567273 0.71 IDO1 (0.50) IDO1MAPTGAATDO2ALDH1A1
SCHEMBL31589753 0.70 ALDH1A1 (0.41) IDO1KMT2AMAPTMEN1GAA
SCHEMBL9055389 0.70 CREBBP (0.47) IDO1KMT2AMAPTMEN1GAA
SCHEMBL5337764 0.69 KMT2A (0.40) IDO1KMT2AMAPTMEN1GAA
SCHEMBL8644231 0.68 CREBBP (0.54) IDO1KMT2AMAPTMEN1GAA

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
US-5801183-A HETEROCYCLC ALCOHOLS FOR NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1998-09-01 US disclosed
EP-0805809-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS State of Oregon through Oregon State Board of Higher Education for and on behalf of Oregon Health Sc. Univ. & Univ. of Oregon (US) 1997-11-12 EP disclosed
WO-1996022990-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1996-08-01 WO disclosed