SCHEMBL27362330

SCHEMBL27362330

OCC(=NO)c1ccc(C(=NO)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GFER P55789 2/20 0.52
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
XBP1 P17861 1/20 0.47
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 2/20 0.37
HTT P42858 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GAA P10253 2/20 0.35
MAPK14 Q16539 1/20 0.35
DRD4 P21917 2/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL2470468 0.89 ATM (0.48) HPGDALDH1A1GFERMAPTATM
SCHEMBL11651881 0.87 ATM (0.46) HPGDALDH1A1GFERMAPTPOLB
SCHEMBL28341134 0.82 HPGD (0.68) HPGDALDH1A1GFERMAPTPOLB
SCHEMBL27961040 0.80 HPGD (0.64) HPGDALDH1A1GFERMAPTPOLB
SCHEMBL273196 0.80 HPGD (0.64) HPGDALDH1A1GFERMAPTPOLB
SCHEMBL27431702 0.78 ALDH1A1 (0.50) HPGDALDH1A1GFERMAPTPOLB
Water SCHEMBL9518556 0.78 HPGD (0.61) HPGDALDH1A1GFERMAPTPOLB
Iodide SCHEMBL27357070 0.76 ALDH1A1 (0.47) HPGDALDH1A1GFERMAPTPOLB
SCHEMBL28739913 0.74 HPGD (0.59) HPGDALDH1A1GFERMAPTPOLB
SCHEMBL8632122 0.74 ESR1 (0.59) HPGDALDH1A1GFERMAPTPOLB

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
CN-1058391-A The preparation of acetoamidophenol HOECHST CELANESE CORP (US) 1992-02-05 CN disclosed