SCHEMBL8714849

SCHEMBL8714849

COC(=O)C(=Cc1c(Cl)n(C)c2ccccc12)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 8/20 0.51
KDM4E B2RXH2 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
NPC1 O15118 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8719322 0.81 MAPT (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8714365 0.80 MAPT (0.46) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL8714362 0.80 MAPT (0.46) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL8713413 0.79 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8717502 0.79 MAPT (0.50) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL8717506 0.79 MAPT (0.50) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL8716828 0.77 P2RX4 (0.54) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL29374992 0.74 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL1092518 0.74 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL8716686 0.73 ALDH1A1 (0.65) ALDH1A1MAPTKDM4ENPSR1SMN1; SMN2

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