SCHEMBL8794516

SCHEMBL8794516

COc1cccc2c3c([nH]c12)C(=O)N=NC3=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.50
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MCL1 Q07820 2/20 0.49
LMNA P02545 1/20 0.49
BLM P54132 1/20 0.49
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.45
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42

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
SCHEMBL8796139 0.79 ABCG2 (0.54) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL8794533 0.76 DYRK1A (0.48) KDM4ECDK9DYRK1ADAO
SCHEMBL17817044 0.75 MAPT (0.51) NQO2KDM4EMEN1POLBMAPT
SCHEMBL28325027 0.72 KDM4E (0.62) NQO2KDM4EMEN1POLBMAPT
SCHEMBL8794690 0.72 MTNR1A (0.41) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL8796099 0.71 GRIN2D (0.50) KDM4EKMT2ALMNAALDH1A1HPGD
SCHEMBL8794843 0.70 KDM4E (0.53) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL7412080 0.70 ALDH1A1 (0.48) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL3423322 0.69 NQO2 (0.57) NQO2KDM4EMEN1POLBMAPT
Edulitine SCHEMBL30631639 0.69 NQO2 (0.76) NQO2KDM4EMEN1POLBMAPT

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