SCHEMBL8549040

SCHEMBL8549040

COc1c(/C=C/C(=O)Nc2ccccc2)c(=O)c2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.49
ALOX15 P16050 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYSLTR1 Q9Y271 4/20 0.47
CYSLTR2 Q9NS75 3/20 0.46
TRPV1 Q8NER1 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 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
SCHEMBL8722402 1.00 GPR17 (0.49) GPR17ALOX15MEN1KMT2AALDH1A1
SCHEMBL8930082 0.87 MAPT (0.48) ALOX15MEN1KMT2AALDH1A1CYP3A4
SCHEMBL8721619 0.87 MAPT (0.48) ALOX15MEN1KMT2AALDH1A1CYP3A4
SCHEMBL8546223 0.86 GPR17 (0.53) GPR17ALOX15MEN1KMT2AALDH1A1
SCHEMBL8930130 0.86 GPR17 (0.53) GPR17ALOX15MEN1KMT2AALDH1A1
SCHEMBL8548828 0.86 ALOX15 (0.62) ALOX15MMP1MMP2MMP9
SCHEMBL8548447 0.86 ALOX15 (0.62) ALOX15MMP1MMP2MMP9
SCHEMBL8544259 0.85 TUBB4A (0.43) ALOX15MEN1KMT2AKDM4EHPGD
SCHEMBL8544261 0.85 TUBB4A (0.43) ALOX15MEN1KMT2AKDM4EHPGD
SCHEMBL8930074 0.85 LPAR1 (0.46) ALOX15ALDH1A1MAPTKDM4EHPGD

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-0702673-B1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LTD (GB) 1998-02-25 EP claimed
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 US claimed
EP-0702673-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1996-03-27 EP claimed
US-5502048-A CNS, STROKES, HYPOGLYCEMIC AGENTS AND ANTIISCHEMIC AGENTS ZENECA LIMITED (GB) 1996-03-26 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
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
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