SCHEMBL10760147

SCHEMBL10760147

O=C1CCC(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)=NN1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 3/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE3B Q13370 5/20 0.47
PDE3A Q14432 5/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
S1PR1 P21453 1/20 0.46
GAA P10253 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
SCHEMBL7267653 0.88 PDE4A (0.45) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL10757481 0.82 PDE3B (0.52) SMN1; SMN2PDE3BPDE3AGPR119
SCHEMBL10955592 0.82 PDE3B (0.52) MAPTSMN1; SMN2PDE3BPDE3AGPR119
SCHEMBL7267124 0.82 PDE3B (0.41) MAPTALDH1A1KMT2ALMNAMAPK1
SCHEMBL10763963 0.81 PDE3B (0.51) PDE3BPDE3AGPR119
SCHEMBL20703131 0.81 PDE3B (0.69) PDE3BPDE3AGPR119
SCHEMBL10764706 0.81 PDE3B (0.57) PDE3BPDE3AGPR119
SCHEMBL10472928 0.80 PDE3B (0.70) MAPTALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL10763921 0.80 PDE3B (0.71) PDE3BPDE3AGPR119
SCHEMBL7267606 0.79 MAPT (0.60) MAPTALDH1A1SMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4704391-A Pyridazinones, and pharmaceutical preparations thereof CIBA-GEIGY CORPORATION (US) 1987-11-03 US disclosed
US-4654340-A Pyridazinones, pharmaceutical preparations containing these compounds, and the use thereof CIBA-GEIGY CORPORATION (US) 1987-03-31 US disclosed
US-4613599-A Method of treating thrombotic disease with pyridazinones CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0059688-B1 PYRIDAZINONES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND THEIR USE CIBA-GEIGY AG (CH) 1985-05-15 EP disclosed
EP-0059688-A1 Pyridazinones, method for their preparation, pharmaceutical compositions containing these compounds and their use CIBA-GEIGY AG (CH) 1982-09-08 EP disclosed