SCHEMBL8950879

SCHEMBL8950879

O=C(C#CBr)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
MAPT P10636 5/20 0.65
POLB P06746 3/20 0.65
HTT P42858 2/20 0.65
DDX3X O00571 1/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.61
BLM P54132 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 5/20 0.55
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MAPK1 P28482 2/20 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
SCHEMBL8950829 0.85 KMT2A (0.65) KMT2AMEN1MAPTPOLBHTT
SCHEMBL9172421 0.85 KMT2A (0.65) KMT2AMEN1MAPTPOLBHTT
SCHEMBL8950838 0.82 KMT2A (0.69) KMT2AMEN1MAPTPOLBHTT
SCHEMBL1047211 0.79 MEN1 (1.00) KMT2AMEN1MAPTPOLBHTT
SCHEMBL1694714 0.78 KMT2A (0.77) KMT2AMEN1MAPTPOLBHTT
SCHEMBL1694713 0.78 KMT2A (0.77) KMT2AMEN1MAPTPOLBHTT
SCHEMBL17084065 0.78 MEN1 (0.96) KMT2AMEN1MAPTPOLBHTT
SCHEMBL775954 0.77 KMT2A (0.65) KMT2AMEN1MAPTPOLBHTT
SCHEMBL12728640 0.77 MEN1 (0.81) KMT2AMEN1MAPTPOLBHTT
SCHEMBL5141415 0.76 MEN1 (0.75) KMT2AMEN1MAPTPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538998-A PEST CONTROL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-23 US claimed
EP-0649835-A1 Halopropiolamide compound, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-26 EP claimed
US-5538998-A PEST CONTROL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-23 US disclosed
EP-0649835-A1 Halopropiolamide compound, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-26 EP disclosed