SCHEMBL11705278

SCHEMBL11705278

CC1CC(=O)NN=C1c1ccc([N+](=O)[O-])c(OCC(O)CNC(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 4/20 0.52
GALR3 O60755 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
THRB P10828 1/20 0.52
PDE3B Q13370 10/20 0.50
PDE3A Q14432 10/20 0.50
ALDH1A1 P00352 2/20 0.50
SLFN12 Q8IYM2 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ADRB2 P07550 3/20 0.41
ADRB1 P08588 2/20 0.41
HTR1A P08908 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL9655901 0.87 L3MBTL1 (0.56) L3MBTL1MAPTGALR3SMN1; SMN2THRB
SCHEMBL9654303 0.87 MAPT (0.48) L3MBTL1MAPTGALR3SMN1; SMN2THRB
SCHEMBL9656255 0.86 MAPT (0.47) L3MBTL1MAPTGALR3SMN1; SMN2THRB
SCHEMBL9654315 0.86 MAPT (0.47) L3MBTL1MAPTGALR3SMN1; SMN2THRB
SCHEMBL11633588 0.83 L3MBTL1 (0.60) L3MBTL1MAPTPDE3BPDE3ALMNA
SCHEMBL9654443 0.81 MAPT (0.46) L3MBTL1MAPTGALR3SMN1; SMN2THRB
SCHEMBL9654426 0.80 MAPT (0.46) L3MBTL1MAPTGALR3SMN1; SMN2THRB
SCHEMBL10568606 0.79 MAPT (0.44) L3MBTL1MAPTGALR3SMN1; SMN2THRB
SCHEMBL9657403 0.79 MAPT (0.44) L3MBTL1MAPTGALR3SMN1; SMN2THRB
SCHEMBL10555382 0.78 ADRB2 (0.58) MAPTLMNAADRB2ADRB1HTR1A

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-4011321-A 6-(3-SUBSTITUTED AMINO-2-HYDROXYPROPOXYARYL)-4,5-DIHYDRO-3(2H)-PYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-08 US disclosed