SCHEMBL8550520

SCHEMBL8550520

O=C(c1cccnc1)c1c(O)c(=O)[nH]c2cc(Cl)ccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
SCHEMBL8547388 0.85 TUBB4A (0.46) ALDH1A1MEN1KMT2A
SCHEMBL9099670 0.79 CA1 (0.49) ALDH1A1MEN1CYP1A2CYP2D6KMT2A
SCHEMBL8548233 0.76 MEN1 (0.54) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7512342 0.75 MAP2K1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL10652619 0.73 MEN1 (0.64) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL6172566 0.72 PTGS2 (0.58)
SCHEMBL8543958 0.71 CA1 (0.48) CYP1A2CYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL8543529 0.71 CYP1A2 (0.56) MEN1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL7507568 0.71 KCNMA1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL8137149 0.71 ABCB11 (0.43) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 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
EP-0702673-B1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LTD (GB) 1998-02-25 EP 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
WO-1994029275-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1994-12-22 WO disclosed