SCHEMBL20162470

SCHEMBL20162470

CC(=O)NCCCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
PTAFR P25105 3/20 0.56
TBXAS1 P24557 7/20 0.56
FES P07332 1/20 0.56
RET P07949 1/20 0.56
MARK3 P27448 1/20 0.56
TYK2 P29597 1/20 0.56
FLT4 P35916 1/20 0.56
SYK P43405 1/20 0.56
CLK2 P49760 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54

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
SCHEMBL11006572 0.94 FES (0.61) PTAFRTBXAS1FESRETMARK3
SCHEMBL48869 0.90 POLB (0.60) TBXAS1FESRETMARK3TYK2
SCHEMBL2841099 0.86 EPHX2 (0.65) EPHX2PTAFRTBXAS1FESRET
SCHEMBL2843163 0.81 PTAFR (0.67) EPHX2PTAFRTBXAS1FESRET
SCHEMBL14276919 0.80 CHRNB2 (0.54) FESRETMARK3TYK2FLT4
SCHEMBL4603002 0.80 CYP3A4 (0.69) EPHX2PTAFRTBXAS1FESRET
SCHEMBL29357760 0.80 CYP3A4 (0.69) EPHX2PTAFRTBXAS1FESRET
SCHEMBL7165228 0.80 TBXAS1 (0.68) TBXAS1TDP1L3MBTL1
SCHEMBL45843 0.80 RECQL (0.70) FESRETMARK3TYK2FLT4
SCHEMBL422827 0.80 L3MBTL1 (0.68) EPHX2POLBL3MBTL1MTNR1AMTNR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018091598-A2 TREATMENT OF NEURODEGENERATIVE DISEASES ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2018-05-24 WO disclosed
EP-3323415-A1 TREATMENT OF NEURODEGENERATIVE DISEASES Institut du Cerveau et de la Moelle Epiniere-ICM (FR) 2018-05-23 EP disclosed