SCHEMBL28503148

SCHEMBL28503148

ON=C(C#Cc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
AGTR1 P30556 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
VCP P55072 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
APP P05067 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
HSP90AA1 P07900 1/20 0.36
OPRK1 P41145 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
GRIN2B Q13224 1/20 0.36
TSHR P16473 3/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL28516989 0.93 KMT2A (0.40) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL28501871 0.87 APP (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL23353497 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL28499562 0.83 VCP (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28513256 0.83 VCP (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28509926 0.83 VCP (0.40) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL28509927 0.82 GAA (0.43) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL28548789 0.79 GRIN2B (0.40) ALDH1A1CES2CES1VCPGRIN2B
SCHEMBL28927660 0.79 GRIN2B (0.40) ALDH1A1CES2CES1VCPGRIN2B
SCHEMBL28501586 0.79 RAB9A (0.51) MEN1KMT2AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062735-B Synthesis method of isoselenazole derivative 温州大学 2022-11-08 CN disclosed
CN-112159364-B Synthetic method of isothiazole derivative 温州大学 2022-06-24 CN disclosed
CN-112159364-A Synthetic method of isothiazole derivative 温州大学 2021-01-01 CN disclosed
CN-112062735-A Synthesis method of isoselenazole derivative 温州大学 2020-12-11 CN disclosed