SCHEMBL8588659

SCHEMBL8588659

CC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)Sc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.49
KMT2A Q03164 13/20 0.49
MEN1 O00255 12/20 0.49
ALDH1A1 P00352 10/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
IDO1 P14902 1/20 0.48
GAA P10253 7/20 0.47
HTT P42858 6/20 0.47
GFER P55789 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 3/20 0.46
THRB P10828 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
MMP14 P50281 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL15047097 1.00 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8859290 1.00 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9068354 0.88 LMNA (0.53) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9067641 0.88 LMNA (0.53) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9067785 0.86 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9067783 0.86 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8588814 0.86 MEN1 (0.66) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8859283 0.86 MEN1 (0.66) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8859333 0.83 ALDH1A1 (0.49) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9068162 0.83 ALDH1A1 (0.54) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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
EP-0810864-A4 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO INC (US) 1998-03-04 EP disclosed
EP-0810864-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY Merck & Co., Inc. (US) 1997-12-10 EP disclosed
US-5670504-A 2,6-diaryl pyridazinones with immunosuppressant activity MERCK & CO. INC. (US) 1997-09-23 US disclosed
WO-1996025936-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1996-08-29 WO disclosed