SCHEMBL8548867

SCHEMBL8548867

COc1c(/C=C/C(=O)N(C)c2ccccc2)c(=O)c2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
ALOX15 P16050 3/20 0.38

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
SCHEMBL8722371 1.00 PTGS2 (0.42) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8542698 0.87 PTGS2 (0.44) PTGS2
SCHEMBL8930180 0.87 PTGS2 (0.44) PTGS2
SCHEMBL8544261 0.85 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8544259 0.85 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8549040 0.82 GPR17 (0.49) ALOX15
SCHEMBL8722402 0.82 GPR17 (0.49) ALOX15
SCHEMBL8544547 0.81 ALOX15 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8548828 0.79 ALOX15 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8548447 0.79 ALOX15 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702673-B1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LTD (GB) 1998-02-25 EP claimed
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 US claimed
EP-0702673-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1996-03-27 EP claimed
US-5502048-A CNS, STROKES, HYPOGLYCEMIC AGENTS AND ANTIISCHEMIC AGENTS ZENECA LIMITED (GB) 1996-03-26 US claimed
WO-1994029275-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1994-12-22 WO claimed
US-5801168-A NMDA RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1998-09-01 US disclosed
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 US disclosed
EP-0702673-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1996-03-27 EP disclosed
US-5502048-A CNS, STROKES, HYPOGLYCEMIC AGENTS AND ANTIISCHEMIC AGENTS ZENECA LIMITED (GB) 1996-03-26 US disclosed
WO-1994029275-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1994-12-22 WO disclosed