SCHEMBL8716686

SCHEMBL8716686

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.65
MAPT P10636 10/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
ATM Q13315 1/20 0.62
DHODH Q02127 1/20 0.53
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
STAT1 P42224 1/20 0.47
TP53 P04637 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46

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
SCHEMBL8716684 1.00 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL8713370 0.85 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL8713366 0.85 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL19051320 0.84 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL31152149 0.84 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL20591067 0.84 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL20591066 0.84 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL8717977 0.83 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL8717976 0.83 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL8715157 0.82 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2LMNANPSR1

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 6 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
US-5783575-A CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1998-07-21 US disclosed
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