SCHEMBL8716592

SCHEMBL8716592

Cn1c(Cl)c(C=C(C#N)S(C)(=O)=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 9/20 0.44
▸ PPME1 Q9Y570 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ APEH P13798 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RECQL P46063 1/20 0.40

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 1.00 ALDH1A1 (0.46) ALDH1A1MAPTPPME1KDM4ENPSR1
SCHEMBL8716626 0.86 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL8716630 0.84 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL8716035 0.81 MAPT (0.47) ALDH1A1MAPTPPME1KDM4EAPEH
SCHEMBL8716034 0.81 MAPT (0.47) ALDH1A1MAPTPPME1KDM4EAPEH
SCHEMBL8716684 0.74 ALDH1A1 (0.65) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL8716686 0.74 ALDH1A1 (0.65) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL29374992 0.73 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL1092518 0.73 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL8714849 0.71 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ENPSR1HPGD

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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