SCHEMBL8714219

SCHEMBL8714219

CCOC(=O)C(C#N)=Cc1c(Cl)n(Cc2cccc(Cl)c2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
ALDH1A1 P00352 7/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
DHODH Q02127 1/20 0.52
ATM Q13315 1/20 0.50
THRB P10828 2/20 0.49
HTT P42858 1/20 0.46
APP P05067 1/20 0.46
SNCA P37840 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL8714215 1.00 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8713370 0.92 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8713366 0.92 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8717977 0.91 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8717976 0.91 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8715136 0.90 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8715138 0.90 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8717517 0.86 MAPT (0.61) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8717514 0.86 MAPT (0.61) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8715157 0.84 ALDH1A1 (0.63) MAPTALDH1A1LMNASMN1; SMN2NPSR1

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