SCHEMBL18079540

SCHEMBL18079540

CCOCCNC(=O)c1cccc(B(O)O)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
HCRTR1 O43613 2/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL3861376 0.76 HPGD (0.76) HPGDPOLBALDH1A1MEN1MAPK1
SCHEMBL17080657 0.75 POLB (0.43) HPGDPOLBALDH1A1KDM4EHTT
SCHEMBL17080658 0.74 LMNA (0.55) HPGDPOLBALDH1A1HTTMEN1
SCHEMBL6988348 0.74 ALDH1A1 (0.48) HPGDPOLBALDH1A1KDM4EMEN1
SCHEMBL13857741 0.73 TSHR (0.53) HPGDPOLBALDH1A1KDM4EMEN1
SCHEMBL26757982 0.72 KMT2A (0.51) HPGDPOLBALDH1A1KDM4EMEN1
SCHEMBL20978806 0.72 HPGD (0.41) HPGDPOLBALDH1A1MEN1MAPK1
SCHEMBL11767831 0.71 ABCG2 (0.48) HPGDPOLBALDH1A1HTTMEN1
SCHEMBL13162930 0.71 NPC1 (0.60) HPGDALDH1A1KDM4EHTTMEN1
SCHEMBL2216523 0.71 HPGD (0.54) HPGDPOLBALDH1A1HTTMEN1

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-9446149-B2 Nanoparticles stabilized with nitrophenylboronic acid compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed