SCHEMBL7809286

SCHEMBL7809286

O=c1[nH]c2cc(Cl)ccc2c(=O)cc1NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
TYMS P04818 1/20 0.46
PARP1 P09874 1/20 0.46
CDC25B P30305 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7811086 0.88 LMNA (0.50) LMNAHPGDALDH1A1PKMKDM4E
SCHEMBL7807528 0.85 APP (0.52) LMNAHPGDALDH1A1KDM4EMEN1
Dimethylamine SCHEMBL7814925 0.79 LMNA (0.52) LMNAHPGDALDH1A1KDM4EMEN1
SCHEMBL8923261 0.78 KDM4E (0.50) KDM4EMEN1CYP2C9BLMKMT2A
SCHEMBL16627873 0.75 IDH1 (0.46) HPGDALDH1A1KDM4EMEN1CYP2C9
SCHEMBL8783757 0.72 KDM4E (0.62) KDM4EMEN1KMT2AHSD17B10
SCHEMBL7811152 0.70 ACHE (0.51) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL9390802 0.69 LMNA (1.00) LMNAHPGDALDH1A1PKMKDM4E
SCHEMBL9086944 0.68 LMNA (0.70) LMNAHPGDALDH1A1KDM4EMEN1
SCHEMBL7350621 0.68 DAO (0.65) LMNAHPGDALDH1A1KDM4EMEN1

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-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
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