SCHEMBL7807764

SCHEMBL7807764

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49
CHEK1 O14757 1/20 0.47
CA9 Q16790 1/20 0.47
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
MAT2A P31153 1/20 0.43
DAO P14920 1/20 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
SCHEMBL7815143 0.84 PARP1 (0.50) PARP1TP53SMN1; SMN2LMNACHEK1
SCHEMBL8543598 0.81 PARP1 (0.47) PARP1TP53SMN1; SMN2LMNACHEK1
SCHEMBL8541473 0.81 ALOX15 (0.49) PARP1CA9GRIN2DGRIN3BGRIN1
SCHEMBL8542047 0.80 CA1 (0.62) LMNA
SCHEMBL7802945 0.79 GRIN2D (0.56) PARP1TP53SMN1; SMN2LMNAGRIN2D
SCHEMBL7809220 0.78 KDM4E (0.64) PARP1SMN1; SMN2LMNADAO
SCHEMBL8543568 0.78 PARP1 (0.43) PARP1TP53SMN1; SMN2LMNACHEK1
SCHEMBL9099936 0.78 CA1 (0.47) PARP1CA9
SCHEMBL7815078 0.78 PARP1 (0.53) PARP1TP53SMN1; SMN2LMNACHEK1
SCHEMBL8547364 0.78 ALOX15 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644878-B1 2,5-DIOXO-2,5-DIHYDRO-1H-BENZ b]AZEPINES AS NMDA RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-09-12 EP disclosed
US-5712272-A TREATMENT OF NEUROLOGICAL DISORDERS WITH BENZ(B)AZEPINE COMPOUNDS ZENECA LIMITED (GB) 1998-01-27 US disclosed
US-5654295-A NEUROLOGICAL DISORDERS; BENZ(B0AZEPINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-05 US disclosed
US-5492905-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1996-02-20 US disclosed
EP-0644878-A1 2,5-DIOXO-2,5-DIHYDRO-1H-BENZ b]AZEPINES AS NMDA RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1995-03-29 EP disclosed
WO-1993025534-A1 2,5-DIOXO-2,5-DIHYDRO-1H-BENZ[b]AZEPINES AS NMDA RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1993-12-23 WO disclosed