SCHEMBL8549698

SCHEMBL8549698

CCOc1ccc(NC(=O)/C=C/c2c(O)c(=O)[nH]c3cc(Cl)ccc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
EGFR P00533 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 6/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
POLB P06746 1/20 0.43
SERPINE1 P05121 1/20 0.42
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL8929925 1.00 MAPT (0.49) MAPTEGFRMEN1KMT2AKDM4E
SCHEMBL8930082 0.89 MAPT (0.48) MAPTEGFRMEN1KMT2AALOX15
SCHEMBL8721619 0.89 MAPT (0.48) MAPTEGFRMEN1KMT2AALOX15
SCHEMBL8930130 0.85 GPR17 (0.53) MAPTEGFRMEN1KMT2AKDM4E
SCHEMBL8546223 0.85 GPR17 (0.53) MAPTEGFRMEN1KMT2AKDM4E
SCHEMBL8547075 0.80 ALOX15 (0.49) ALOX15
SCHEMBL8548936 0.77 MMP1 (0.45) EGFRKDM4EALOX15NPC1ALDH1A1
SCHEMBL8930149 0.77 MMP1 (0.45) EGFRKDM4EALOX15NPC1ALDH1A1
SCHEMBL8549702 0.77 LPAR1 (0.41) EGFRALOX15
SCHEMBL8929959 0.77 LPAR1 (0.41) EGFRALOX15

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