SCHEMBL8714564

SCHEMBL8714564

CCOC(=O)C(=Cc1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
LMNA P02545 6/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 7/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
ALOX5 P09917 1/20 0.41
MDM2 Q00987 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL8714561 1.00 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8714053 0.94 MAPT (0.47) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8714057 0.94 MAPT (0.47) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8714193 0.94 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8720531 0.91 MEN1 (0.48) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8720533 0.91 MEN1 (0.48) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8714568 0.88 MAPT (0.46) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8714570 0.88 MAPT (0.46) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8717544 0.84 MEN1 (0.52) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8717977 0.83 MAPT (0.64) ALDH1A1LMNAKDM4EKMT2AMEN1

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-0843660-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-27 EP claimed
WO-1997005109-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 WO claimed
EP-0843660-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-27 EP disclosed
US-5696148-A POTENT ANTAGONIST OF METABOTROPIC GLUTAMATE RECEPTORS; TREATING EPILEPSY, PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, BRAIN DISORDER AND ALZHEIMER'S DISEASE NOVO NORDISK A/S (DK) 1997-12-09 US disclosed
WO-1997005109-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 WO disclosed