SCHEMBL5580193

SCHEMBL5580193

NC(=NO)Nc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.56
GAA P10253 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.45
KMT2A Q03164 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MEN1 O00255 1/20 0.45
BRD4 O60885 1/20 0.45
NR1I2 O75469 1/20 0.45
MB P02144 1/20 0.45
CYP1A1 P04798 1/20 0.45
CA3 P07451 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL2273066 0.80 NPC1 (0.57) GAAALDH1A1MAPTKDM4EMAPK1
SCHEMBL28515024 0.80 GRIN2D (0.66) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL249533 0.79 GRIN2D (0.63) GAAALDH1A1MAPTKMT2ACYP3A4
SCHEMBL14755313 0.79 GRIN2D (0.63) GAAALDH1A1MAPTKMT2ACYP3A4
SCHEMBL14739674 0.79 GRIN2D (0.63) GAAALDH1A1MAPTKMT2ACYP3A4
SCHEMBL9701789 0.75 PEPD (0.48) PEPDGAAALDH1A1MAPTKDM4E
SCHEMBL7296946 0.75 ALDH1A1 (0.50) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL10430498 0.73 GAA (0.48) PEPDGAAALDH1A1MAPTKDM4E
SCHEMBL13898459 0.71 PEPD (0.60) PEPDGAAALDH1A1MAPTKDM4E
SCHEMBL1822006 0.71 ALDH1A1 (0.65) PEPDGAAALDH1A1MAPTKDM4E

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-20070054298-A1 Methods for enzyme-mediated coupling of oligomers NEW YORK UNIVERSITY 2007-03-08 US disclosed