SCHEMBL2759529

SCHEMBL2759529

CN(C)/C=N/c1ccc2nc(SCc3ccc(C=O)cc3)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 4/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
GFER P55789 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL214248 0.86 MAPT (0.53) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL210097 0.83 CYP1A2 (0.53) MAPTALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL210098 0.83 CYP1A2 (0.53) MAPTALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL209426 0.77 HDAC1 (0.68) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL7235855 0.75 NPC1 (0.64) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL9042870 0.70 MAPT (0.56) MAPTMEN1ALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL8991608 0.69 MAPT (0.55) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL14858956 0.65 KEAP1 (0.59) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL2733568 0.63 MAPT (0.61) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL12721852 0.62 NPC1 (0.61) MAPTMEN1ALDH1A1KMT2ALMNA

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed