SCHEMBL8713413

SCHEMBL8713413

COC(=O)C(=Cc1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 2/20 0.47
PTGES2 Q9H7Z7 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK10 P53779 1/20 0.44
DRD2 P14416 2/20 0.43
TBXA2R P21731 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 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 0.93 MAPT (0.46) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL8716828 0.91 P2RX4 (0.54) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL8714193 0.89 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL8714570 0.83 MAPT (0.46) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL8714568 0.83 MAPT (0.46) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL8714561 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL8714564 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL8717544 0.81 MEN1 (0.52) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL8714849 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL8717977 0.78 MAPT (0.64) ALDH1A1KDM4EMEN1KMT2AUSP2

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