SCHEMBL8795329

SCHEMBL8795329

COc1c(Cl)cc2[nH]c3c(c2c1Cl)C(=O)N=NC3=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
CHUK O15111 1/20 0.36
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31

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
SCHEMBL8794690 0.74 MTNR1A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8794785 0.74 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8794761 0.67 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8794433 0.67 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8796139 0.67 ABCG2 (0.54)
SCHEMBL8796099 0.62 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8794931 0.61 KDM4E (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8794489 0.61 PARP1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21614387 0.61 ALDH1A1 (0.42) CHUKAKR1B1
SCHEMBL9739556 0.60 CHUK (0.36) 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