SCHEMBL10353452

SCHEMBL10353452

O=C1CCC(c2ccc(C3=NNC(=O)CC3)cc2)=NN1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.81
KCNH2 Q12809 1/20 0.67
LMNA P02545 2/20 0.63
MAPT P10636 2/20 0.63
NPY1R P25929 1/20 0.63
NPY2R P49146 1/20 0.63
PDE3B Q13370 12/20 0.62
PDE3A Q14432 12/20 0.62
PDE4A P27815 6/20 0.62
PDE4B Q07343 6/20 0.62
PDE4C Q08493 6/20 0.62
PDE4D Q08499 6/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.58

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
SCHEMBL927560 0.92 SMN1; SMN2 (0.70) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL9687996 0.92 SMN1; SMN2 (0.70) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL930230 0.90 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL10556720 0.90 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL11035016 0.90 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL6331085 0.90 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL2846257 0.90 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL8302890 0.90 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL7273533 0.90 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL2798028 0.90 SMN1; SMN2 (1.00) SMN1; SMN2KCNH2LMNAMAPTNPY1R

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
EP-0208517-B1 6-OXO-PYRIDAZINYL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-09-12 EP claimed
US-4904664-A INOTROPIC, BRONCHODILATOR, AND VASODILATOR AGENTS; CONGESTIVE HEART FAILURE; CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-27 US claimed
EP-0208517-B1 6-OXO-PYRIDAZINYL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-09-12 EP disclosed
US-4904664-A INOTROPIC, BRONCHODILATOR, AND VASODILATOR AGENTS; CONGESTIVE HEART FAILURE; CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-27 US disclosed
EP-0208517-A2 6-Oxo-pyridazinyl compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-01-14 EP disclosed