SCHEMBL14567124

SCHEMBL14567124

O=C(Sc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
TERT O14746 1/20 0.48
CES2 O00748 1/20 0.46
SRD5A2 P31213 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
POLB P06746 1/20 0.45
GSK3B P49841 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL31054333 0.85 ACHE (0.58) CES1CA1CA2TDP1ALDH1A1
SCHEMBL1603880 0.84 MAPT (0.50) CA1CA2ALDH1A1MAPK1CES2
SCHEMBL70130 0.80 TERT (0.55) CES1CA1CA2TDP1ALDH1A1
P-Nitrophenol SCHEMBL10883405 0.80 CES1 (0.56) CES1CA1CA2TDP1ALDH1A1
SCHEMBL4686670 0.78 SRD5A2 (0.71) CES1CA1CA2TDP1ALDH1A1
SCHEMBL177714 0.78 MAPT (0.66) CES1CA1CA2TDP1ALDH1A1
P-Nitrophenol SCHEMBL11052616 0.78 CES1 (0.54) CES1CA1CA2TDP1ALDH1A1
P-Nitrophenol SCHEMBL11048842 0.78 CES1 (0.58) CES1CA1CA2TDP1ALDH1A1
P-Nitrophenol SCHEMBL29806213 0.78 CES1 (0.58) CES1CA1CA2TDP1ALDH1A1
P-Nitrophenol SCHEMBL1839 0.78 CES1 (0.58) CES1CA1CA2TDP1ALDH1A1

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
WO-2007026907-A1 TRANSFER MATERIAL, PROCESS FOR PRODUCING A LAMINATED STRUCTURE HAVING A PATTERNED OPTICALLY ANISOTROPIC LAYER AND PHOTOSENSITIVE POLYMER LAYER, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2007-03-08 WO disclosed