SCHEMBL8794785

SCHEMBL8794785

O=C1N=NC(=O)c2c1[nH]c1cc(Cl)cc(Cl)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.45
GRIN3B O60391 4/20 0.45
GRIN1 Q05586 4/20 0.45
GRIN2A Q12879 4/20 0.45
GRIN2B Q13224 4/20 0.45
GRIN2C Q14957 4/20 0.45
GRIN3A Q8TCU5 4/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 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
SCHEMBL8794433 0.81 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8794489 0.75 PARP1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8795329 0.74 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8794931 0.71 KDM4E (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9054144 0.68 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8794533 0.68 DYRK1A (0.48) CA12CA9GSK3BCCNB2CDK1
SCHEMBL8795023 0.68 CCNE2 (0.44) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL8794690 0.67 MTNR1A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7412080 0.67 ALDH1A1 (0.48) CA12CA9MEN1CYP1A2CYP2D6
SCHEMBL3669227 0.67 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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