SCHEMBL7811758

SCHEMBL7811758

Nc1cc(=O)c2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
PARP1 P09874 1/20 0.59
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.54
GRIN2D O15399 3/20 0.52
GRIN3B O60391 3/20 0.52
GRIN1 Q05586 3/20 0.52
GRIN2A Q12879 3/20 0.52
GRIN2B Q13224 3/20 0.52
GRIN2C Q14957 3/20 0.52
GRIN3A Q8TCU5 3/20 0.52
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL7350621 0.79 DAO (0.65) LMNAPARP1HPGDKDM4EMEN1
SCHEMBL9086944 0.79 LMNA (0.70) LMNAPARP1HPGDKDM4EMEN1
SCHEMBL31378780 0.79 DAO (0.64) PARP1MAPK1GRIN2DGRIN3BGRIN1
SCHEMBL1270149 0.77 CYP1A2 (0.56) LMNAPARP1HPGDKDM4EMEN1
SCHEMBL8874832 0.76 PARP1 (0.75) LMNAPARP1HPGDKDM4EMEN1
SCHEMBL7346243 0.76 TYMS (0.50) LMNAPARP1HPGDKDM4EMAPK1
SCHEMBL7802847 0.76 LMNA (0.59) LMNAPARP1HPGDKDM4EMEN1
SCHEMBL7802763 0.76 LMNA (0.59) LMNAPARP1HPGDKDM4EMEN1
SCHEMBL31378871 0.75 DAO (0.64) LMNAPARP1KDM4EMEN1MAPK1
SCHEMBL20693897 0.75 LMNA (0.64) LMNAPARP1HPGDKDM4EMEN1

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-0644878-B1 2,5-DIOXO-2,5-DIHYDRO-1H-BENZ b]AZEPINES AS NMDA RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-09-12 EP claimed
US-5492905-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1996-02-20 US claimed
EP-0644878-A1 2,5-DIOXO-2,5-DIHYDRO-1H-BENZ b]AZEPINES AS NMDA RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1995-03-29 EP claimed
WO-1993025534-A1 2,5-DIOXO-2,5-DIHYDRO-1H-BENZ[b]AZEPINES AS NMDA RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1993-12-23 WO claimed
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