SCHEMBL19584717

SCHEMBL19584717

C#CC1CCN(C(=O)Oc2nsnc2N2CCCCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPA P38571 8/20 0.72
ABHD6 Q9BV23 2/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL17078239 0.85 LIPA (1.00) LIPAABHD6ALDH1A1MAPTHSD17B10
SCHEMBL19607576 0.85 LIPA (1.00) LIPAABHD6ALDH1A1MAPTHSD17B10
SCHEMBL17078253 0.85 LIPA (1.00) LIPAABHD6ALDH1A1MAPTHSD17B10
SCHEMBL17078235 0.79 LIPA (1.00) LIPAABHD6ALDH1A1MAPTHSD17B10
SCHEMBL19607575 0.79 LIPA (1.00) LIPAABHD6ALDH1A1MAPTHSD17B10
SCHEMBL17078227 0.77 LIPA (1.00) LIPAABHD6ALDH1A1MAPTHSD17B10
SCHEMBL17078300 0.76 LIPA (1.00) LIPAABHD6ALDH1A1MAPTHSD17B10
SCHEMBL17078250 0.71 LIPA (1.00) LIPAABHD6ALDH1A1MAPTHSD17B10
SCHEMBL23041797 0.61 GAA (0.62) ALDH1A1MAPTPOLBLMNAGAA
SCHEMBL427670 0.60 HPGD (0.58) ALDH1A1MAPTHSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017194734-A1 MEANS AND METHODS FOR TREATING MYCOBACTERIAL DISEASES Technische Universität München (DE) 2017-11-16 WO disclosed