SCHEMBL28174679

SCHEMBL28174679

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
POLB P06746 4/20 0.59
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 1/20 0.53
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
MCL1 Q07820 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL28007433 0.87 MAPT (0.62) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL28723007 0.82 MEN1 (0.82) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL12503662 0.81 GSK3B (0.53) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL16817686 0.80 MAPT (0.57) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6769441 0.80 MAPT (0.68) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL23728052 0.80 GSK3B (0.59) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL4929277 0.79 MEN1 (0.77) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL10940028 0.78 MAPT (0.57) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL10942052 0.78 MAPT (0.57) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL8879368 0.77 MAPT (0.80) MAPTMEN1KMT2APOLBALDH1A1

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-104395324-B Mi Zuo Bing oxadiazoles and imidazo thiadiazoles derivative 阿瑞斯贸易股份有限公司 2017-09-12 CN disclosed