SCHEMBL8566828

SCHEMBL8566828

O=C(Nc1cccc([N+](=O)[O-])c1)C(Br)CCBr

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
MEN1 O00255 6/20 0.58
MAPT P10636 4/20 0.58
POLB P06746 3/20 0.58
DDX3X O00571 2/20 0.58
HTT P42858 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
BLM P54132 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 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
SCHEMBL8566834 1.00 KMT2A (0.58) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL27470350 0.85 ALDH1A1 (0.62) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL27582546 0.82 KMT2A (0.67) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL10692848 0.81 KMT2A (0.66) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL27964933 0.77 KMT2A (0.69) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL3207627 0.77 KMT2A (0.78) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL6069337 0.77 ALDH1A1 (0.69) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL20474540 0.77 KMT2A (0.60) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL11503152 0.77 KMT2A (0.63) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL31185157 0.76 SMN1; SMN2 (0.68) KMT2AMEN1MAPTPOLBDDX3X

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 US disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed