SCHEMBL8794489

SCHEMBL8794489

O=C1N=NC(=O)c2c1[nH]c1cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.46
CCNE2 O96020 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
MAT2A P31153 2/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44

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
SCHEMBL8794931 0.87 KDM4E (0.48) LMNACDK2CAMK2BCAMK2GCAMK2D
SCHEMBL8795167 0.80 GSK3B (0.44) PARP1GSK3AGSK3BCCNB2CDK1
SCHEMBL8793829 0.80 GSK3B (0.48) TP53SMN1; SMN2LMNACCNE2CDK4
SCHEMBL7412080 0.77 ALDH1A1 (0.48) PARP1TP53SMN1; SMN2LMNACCNE2
SCHEMBL8793865 0.76 KIF11 (0.51) CDK4CCND1CA12CA9
SCHEMBL8794843 0.76 KDM4E (0.53) SMN1; SMN2LMNACCNE2CDK4CCND1
SCHEMBL8794785 0.75 GRIN2D (0.45) CDK2CAMK2BCAMK2GCAMK2DGRIN2D
SCHEMBL8794690 0.72 MTNR1A (0.41) SMN1; SMN2LMNAGRIN2DGRIN3BGRIN1
SCHEMBL14543827 0.70 PARP1 (0.62) PARP1TP53SMN1; SMN2LMNACCNE2
SCHEMBL8794533 0.70 DYRK1A (0.48) PARP1CAMK2ACA12CA9GSK3A

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-0512817-B1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LTD (GB) 1997-02-19 EP claimed
EP-0512817-A1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LIMITED (GB) 1992-11-11 EP claimed
US-5652239-A TREATMENT OF STROKES, ISCHEMIC ATTACK, ANTAGONISTS OF EXCITATORY AMINO ACIDS GLUTAMATE AND ASPARTATE IMPERIAL CHEMICAL COMPANY (GB) 1997-07-29 US disclosed
EP-0512817-B1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LTD (GB) 1997-02-19 EP disclosed
EP-0512817-A1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LIMITED (GB) 1992-11-11 EP disclosed