SCHEMBL13637834

SCHEMBL13637834

O=C(Cc1cccc(O)c1)N/N=C/c1ccccc1[N+](=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.59
LMNA P02545 4/20 0.51
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL13628744 0.90 MAPT (0.62) SGK1LMNAMAPTGAATHRB
SCHEMBL13628702 0.84 SGK1 (0.63) SGK1LMNAMAPTALDH1A1MEN1
SCHEMBL13628713 0.83 SGK1 (0.64) SGK1LMNAMAPTGAATHRB
SCHEMBL13628735 0.82 LMNA (0.76) SGK1LMNAMAPTGAATHRB
SCHEMBL13628763 0.82 SGK1 (0.63) SGK1LMNAMAPTALDH1A1MEN1
SCHEMBL13628758 0.81 SGK1 (0.59) SGK1LMNAMAPTALDH1A1MEN1
SCHEMBL13628738 0.81 SGK1 (0.65) SGK1LMNAMAPTALDH1A1MEN1
SCHEMBL13628743 0.81 SGK1 (0.61) SGK1LMNAMAPTALDH1A1MEN1
SCHEMBL13628722 0.79 SGK1 (0.59) SGK1LMNAMAPTALDH1A1MEN1
SCHEMBL4559373 0.79 ALDH1A1 (0.68) SGK1LMNAALDH1A1MEN1KMT2A

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-7619115-B2 Ortho-substituted N'-benzylidene-(3-hydroxyphenyl)acethydrazides MERCK PATENT GMBH (DE) 2009-11-17 US disclosed