SCHEMBL7863130

SCHEMBL7863130

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
ALOX15 P16050 4/20 0.37
CHEK1 O14757 1/20 0.36
ESR1 P03372 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL8929778 1.00 PARP1 (0.38) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8544547 0.89 ALOX15 (0.41) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8544261 0.86 TUBB4A (0.43) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8544259 0.86 TUBB4A (0.43) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8548897 0.85 ALOX15 (0.47) ALOX15
SCHEMBL8719187 0.85 ALOX15 (0.47) ALOX15
SCHEMBL8929954 0.83 PARP1 (0.38) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8929949 0.83 PARP1 (0.38) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9051948 0.80 TUBB4A (0.41) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7863131 0.80 TUBB4A (0.41) PARP1TUBB4ATUBBTUBA3CTUBA1B

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 9 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-6313290-B1 Azolobenzazepine derivatives and compositions and method of use thereof ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-6124281-A TREATING STROKES ZENECA LIMITED (GB) 2000-09-26 US disclosed
EP-0888350-A1 AZOLOBENZAZEPINE DERIVATIVES AS NEUROLOGICALLY ACTIVE AGENTS ZENECA LIMITED (GB) 1999-01-07 EP disclosed
US-5801168-A NMDA RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1998-09-01 US disclosed
WO-1997032883-A1 AZOLOBENZAZEPINE DERIVATIVES AS NEUROLOGICALLY ACTIVE AGENTS ZENECA LIMITED (GB) 1997-09-12 WO disclosed
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 US 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