Acibenzolar-S-Methyl

Acibenzolar-S-Methyl

SCHEMBL5867726

CSC(=O)c1cccc2nnsc12.CSC(=O)c1cccc2nnsc12

nearest known ligand 0.36

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
TP53 P04637 4/20 0.36
THRB P10828 1/20 0.35
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
POLB P06746 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
Acibenzolar-S-Methyl SCHEMBL50864 1.00 MAPT (0.36) MAPTSMN1; SMN2TP53THRBNPC1
Acibenzolar-S-Methyl SCHEMBL29359506 1.00 MAPT (0.36) MAPTSMN1; SMN2TP53THRBNPC1
Acibenzolar-S-Methyl SCHEMBL2785041 0.92 MAPT (0.40) MAPTSMN1; SMN2TP53THRBNPC1
Acibenzolar-S-Methyl SCHEMBL19813905 0.87 TP53 (0.32) MAPTSMN1; SMN2TP53TDP1ALDH1A1
Acibenzolar-S-Methyl SCHEMBL15555799 0.86 MAPT (0.31) MAPTSMN1; SMN2TP53POLBTDP1
SCHEMBL9667248 0.83 ALDH1A1 (0.35) MAPTSMN1; SMN2TP53THRBNPC1
SCHEMBL8051642 0.81 MAPT (0.45) MAPTSMN1; SMN2TP53THRBNPC1
SCHEMBL9668187 0.81 ALDH1A1 (0.36) MAPTSMN1; SMN2TP53THRBPOLB
SCHEMBL9426367 0.81 TP53 (0.32) MAPTSMN1; SMN2TP53RAB9AALDH1A1
SCHEMBL7183586 0.80 MAPT (0.37) MAPTSMN1; SMN2TP53THRBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7110912-B1 Method of applying parametric oscillators to model dielectric functions J.A. WOOLLAM CO., INC (US) 2006-09-19 US disclosed
US-20040116293-A1 Enhanced herbicide composition VALENT BIOSCIENCES CORPORATION 2004-06-17 US disclosed