SCHEMBL28053555

SCHEMBL28053555

CCCCNC(=O)/C=C\c1nnn(C2CCCCC2)c1CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 3/20 0.37
EGFR P00533 1/20 0.36
HDAC1 Q13547 2/20 0.35
NAAA Q02083 1/20 0.34
APP P05067 1/20 0.34
FKBP1A P62942 1/20 0.34
GAA P10253 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
SCHEMBL28053628 0.93 PKM (0.44) PKMMAPTHTTL3MBTL1MEN1
SCHEMBL28635812 0.85 MEN1 (0.36) PKMMAPTHTTL3MBTL1MEN1
SCHEMBL28638173 0.85 MEN1 (0.36) PKMMAPTHTTL3MBTL1MEN1
SCHEMBL28628722 0.76 MEN1 (0.35) MAPTHTTL3MBTL1MEN1USP2
SCHEMBL28260449 0.76 ADORA2A (0.36) PKMMAPTHTTL3MBTL1MEN1
SCHEMBL28633072 0.74 LMNA (0.33) MAPTHTTL3MBTL1MEN1USP2
SCHEMBL28053627 0.74 MAPT (0.43) PKMMAPTHTTL3MBTL1HPGD
SCHEMBL28826249 0.70 MAPT (0.44) PKMMAPTHTTL3MBTL1HPGD
SCHEMBL28622426 0.69 TSHR (0.34) PKMMAPTHTTL3MBTL1MEN1
SCHEMBL28624744 0.68 ALDH1A1 (0.36) MAPTHTTL3MBTL1MEN1USP2

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
CN-105272928-A Alkenyl amide triazole compound and synthetic method thereof UNIV SHAANXI NORMAL 2016-01-27 CN disclosed