SCHEMBL3794356

SCHEMBL3794356

NCCCCCN1C(=O)CSC1=S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ GAA P10253 4/20 0.65
▸ ALDH1A1 P00352 5/20 0.55
▸ GSK3A P49840 8/20 0.50
▸ GSK3B P49841 8/20 0.50
▸ PAX8 Q06710 1/20 0.42
▸ RECQL P46063 4/20 0.41
▸ MAPT P10636 4/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL16636652 0.85 GSK3A (0.56) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL19220386 0.83 MEN1 (0.65) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL26286 0.83 MEN1 (0.65) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL20176213 0.83 MEN1 (0.65) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL16274020 0.83 MEN1 (0.65) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL14850663 0.83 MEN1 (0.65) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL3062340 0.81 GSK3A (0.62) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL186221 0.81 MEN1 (0.62) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL14292315 0.80 MAPT (0.51) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL10601662 0.79 GAA (1.00) MEN1KMT2AGAAALDH1A1GSK3A

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
WO-2010081731-A2 DERIVATIVES OF SYRINGOLIN A Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V (DE) 2010-07-22 — — WO disclosed
Send feedback