SCHEMBL8716626

SCHEMBL8716626

CC(C)S(=O)(=O)C(C#N)=Cc1c(Cl)n(C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 11/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36

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
SCHEMBL8716592 0.86 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL8716590 0.86 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL8716630 0.81 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL8716684 0.71 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL8716686 0.71 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL29374992 0.70 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL1092518 0.70 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL8714849 0.69 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAHSD17B10
SCHEMBL8716034 0.68 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL8716035 0.68 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1

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
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