SCHEMBL8717817

SCHEMBL8717817

CCOC(=O)/C(=C/c1c(Cl)n(Cc2ccc(OC)cc2)c2ccccc12)C(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSPO P30536 1/20 0.46
P2RX4 Q99571 1/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HDAC1 Q13547 2/20 0.41
MCL1 Q07820 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PLA2G2A P14555 2/20 0.40
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MARK4 Q96L34 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
SCHEMBL8717821 1.00 MEN1 (0.47) MEN1KMT2ATSPOP2RX4TP53
SCHEMBL8717544 0.92 MEN1 (0.52) MEN1KMT2ATSPOP2RX4TP53
SCHEMBL8714570 0.92 MAPT (0.46) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL8714568 0.92 MAPT (0.46) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL8714008 0.91 MAPT (0.48) MEN1KMT2ATSPOMAPTKDM4E
SCHEMBL8714011 0.91 MAPT (0.48) MEN1KMT2ATSPOMAPTKDM4E
SCHEMBL8720531 0.89 MEN1 (0.48) MEN1KMT2ATSPOP2RX4TP53
SCHEMBL8720533 0.89 MEN1 (0.48) MEN1KMT2ATSPOP2RX4TP53
SCHEMBL8716828 0.85 P2RX4 (0.54) MEN1KMT2ATSPOP2RX4TP53
SCHEMBL8714193 0.83 ALDH1A1 (0.51) MEN1KMT2AMAPTKDM4ENPSR1

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