SCHEMBL8309554

SCHEMBL8309554

Fc1ccc2[nH]c(-c3cccs3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
PTGER2 P43116 1/20 0.47
CYP1A1 P04798 2/20 0.47
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPN P05981 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL8305347 0.87 MAPT (0.77) MAPTPTGER2KDM4EALDH1A1LMNA
SCHEMBL18674804 0.83 MAPT (0.71) MAPTCYP1A1ATP4AATP4BKDM4E
SCHEMBL28414666 0.81 MAPT (0.68) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL30048517 0.80 MAPT (0.66) MAPTATP4AATP4BKDM4EALDH1A1
SCHEMBL2546875 0.80 MAPT (0.66) MAPTATP4AATP4BKDM4EALDH1A1
SCHEMBL29019029 0.77 MAPT (0.62) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2545686 0.77 MAPT (0.62) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL2967473 0.77 MAPT (0.62) MAPTKDM4EHPNCCNB2CDK1
SCHEMBL7865262 0.75 MAPT (0.60) MAPTCYP1A1ATP4AATP4BKDM4E
SCHEMBL8310270 0.75 CYP19A1 (0.62) MAPTALDH1A1LMNAMEN1HTT

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-0863897-B1 5-PHENYL-3-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES FOR USE AS 5-HT4- OR H3-RECEPTOR LIGANDS SYNTHELABO (FR) 1999-06-16 EP claimed
EP-0650599-B1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION OXIS ISLE OF MAN LIMITED (GB) 1999-11-03 EP disclosed
US-5726063-A Method of colorimetric analysis of malonic dialdehyde and 4-hydroxy-2-enaldehydes as indexes of lipid peroxidation, kits for carrying out said method, substituted indoles for use in said method and their preparation OXIS ISLE OF MAN, LIMITED (US) 1998-03-10 US disclosed
EP-0650599-A1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION OXIS INTERNATIONAL S.A. (FR) 1995-05-03 EP disclosed
WO-1994027155-A1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION BIOXYTECH (FR) 1994-11-24 WO disclosed