SCHEMBL9539481

SCHEMBL9539481

NC(=O)N(c1nc(Cl)c2c(n1)CCCC2)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
ACHE P22303 5/20 0.36
BCHE P06276 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10401012 0.86 KMT2A (0.35) KMT2APDE4BPDE4DACHEBCHE
SCHEMBL10400910 0.85 PDE4B (0.37) KMT2APDE4BPDE4DACHEBCHE
SCHEMBL9536988 0.85 SMN1; SMN2 (0.37) KMT2APDE4BPDE4DACHEBCHE
SCHEMBL10400747 0.84 KMT2A (0.33) KMT2APDE4BPDE4DACHEBCHE
SCHEMBL10401051 0.82 PDE4B (0.35) KMT2APDE4BPDE4DACHEBCHE
SCHEMBL9536239 0.82 SMN1; SMN2 (0.35) KMT2APDE4BPDE4DACHEBCHE
SCHEMBL10401013 0.80 PDE4B (0.35) PDE4BPDE4DHTTATM
SCHEMBL9538050 0.76 ACHE (0.40) PDE4BACHEBCHETDP1HTT
SCHEMBL10400124 0.74 LMNA (0.34) KMT2AHTTATMLMNAMEN1
SCHEMBL10400122 0.74 TAS1R3 (0.34) KMT2AHTTATMLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337944-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
US-4973690-A PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed