SCHEMBL8715157

SCHEMBL8715157

CCOC(=O)C(C#N)=Cc1c(Cl)n(Cc2ccccc2Cl)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
MAPT P10636 9/20 0.63
LMNA P02545 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
THRB P10828 2/20 0.56
ATM Q13315 1/20 0.53
DHODH Q02127 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 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
SCHEMBL8715154 1.00 ALDH1A1 (0.63) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL8714793 0.90 ALDH1A1 (0.60) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL8714791 0.90 ALDH1A1 (0.60) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL8713370 0.89 MAPT (0.66) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL8713366 0.89 MAPT (0.66) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL8717977 0.87 MAPT (0.64) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL8717976 0.87 MAPT (0.64) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL8717517 0.85 MAPT (0.61) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL8717514 0.85 MAPT (0.61) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL8714219 0.84 MAPT (0.60) ALDH1A1MAPTLMNANPSR1SMN1; 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