SCHEMBL28845196

SCHEMBL28845196

NNNC(=O)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.64
RAB9A P51151 5/20 0.62
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 5/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 4/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.55
GFER P55789 1/20 0.54
TSHR P16473 1/20 0.54
HDAC3 O15379 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
SCHEMBL1858111 0.87 RAB9A (0.78) HDAC1RAB9AMEN1KMT2ANPC1
SCHEMBL355263 0.83
SCHEMBL4739925 0.80 RAB9A (0.73) HDAC1RAB9AMEN1KMT2ANPC1
SCHEMBL1724937 0.80 MAPT (0.67) HDAC1RAB9AMEN1KMT2ANPC1
SCHEMBL6694588 0.79 MAPT (0.66) HDAC1RAB9AMEN1KMT2ANPC1
SCHEMBL8402365 0.79 HDAC1 (0.75) HDAC1RAB9AMEN1KMT2ANPC1
SCHEMBL1884686 0.79
SCHEMBL7060779 0.78 RAB9A (0.66) HDAC1RAB9AMEN1KMT2ANPC1
SCHEMBL7059348 0.77 RAB9A (1.00) RAB9AMEN1KMT2ANPC1ALDH1A1
Carbamic Acid SCHEMBL9840618 0.76 HDAC1 (0.84) HDAC1RAB9AMEN1KMT2ANPC1

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-106905337-A Rhodamine fluorescent probe containing thenoyl hydrazine structure and its preparation method and application 辽宁大学 2017-06-30 CN disclosed