SCHEMBL11627634

SCHEMBL11627634

CN(C)C(=O)Nc1cccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KMT2A Q03164 7/20 0.66
MEN1 O00255 6/20 0.66
GAA P10253 1/20 0.63
MAPT P10636 4/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
POLB P06746 3/20 0.55
DDX3X O00571 1/20 0.55
HTT P42858 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
BAZ1A Q9NRL2 1/20 0.53
TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL11628466 0.93 GAA (0.67) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL11061703 0.88 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL11632038 0.85 GAA (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL6754266 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL10160140 0.82 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL1028389 0.81 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL1028387 0.81 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL11631678 0.80 TP53 (0.51) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL13623020 0.80 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL2341651 0.79 KMT2A (0.73) ALDH1A1SMN1; SMN2KMT2AMEN1GAA

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-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed