SCHEMBL9655883

SCHEMBL9655883

CCNN=C(C)c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC1 Q13547 1/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
DAO P14920 1/20 0.38
HPGD P15428 1/20 0.34
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 5/20 0.32
LMNA P02545 2/20 0.32
ALOX12 P18054 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL845047 0.74
SCHEMBL13237103 0.74
SCHEMBL2815214 0.74
SCHEMBL9655158 0.74 LCK (0.50) CES2CES1HDAC1LCKFYN
SCHEMBL9655163 0.74 LCK (0.50) CES2CES1HDAC1LCKFYN
SCHEMBL942302 0.72 METTL3 (0.60)
SCHEMBL942301 0.72 METTL3 (0.60)
SCHEMBL9653531 0.71
SCHEMBL29673831 0.70 MAPT (0.52) HDAC1MAPTTDP1ALDH1A1NPC1
SCHEMBL13009934 0.68 CES2 (0.43) CES2CES1HDAC1LCKFYN

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
EP-0299974-B1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-01-22 EP claimed