SCHEMBL8716630

SCHEMBL8716630

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPT P10636 11/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ DNM1 Q05193 4/20 0.36
▸ ATM Q13315 1/20 0.35

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
SCHEMBL8716590 0.84 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL8716592 0.84 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL8716626 0.81 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL8716686 0.74 ALDH1A1 (0.65) ALDH1A1MAPTNPSR1KDM4ESMN1; SMN2
SCHEMBL8716684 0.74 ALDH1A1 (0.65) ALDH1A1MAPTNPSR1KDM4ESMN1; SMN2
SCHEMBL14982053 0.74 PKM (0.48) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8716035 0.69 MAPT (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8716034 0.69 MAPT (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL29374992 0.68 ALDH1A1 (0.60) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL1092518 0.68 ALDH1A1 (0.60) ALDH1A1MAPTNPSR1KDM4EHPGD

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
Send feedback