SCHEMBL11610271

SCHEMBL11610271

CCN(CC)/C(N)=C(/C#N)C(N)=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EHMT2 Q96KQ7 3/20 0.34
EHMT1 Q9H9B1 3/20 0.34
ABCB11 O95342 2/20 0.34
HTT P42858 2/20 0.34
GSDMD P57764 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
CYP2E1 P05181 1/20 0.34
PTGS1 P23219 1/20 0.34
ALDH1A1 P00352 3/20 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
SCHEMBL11610275 1.00 MAPT (0.35) MAPTKMT2ANPSR1MEN1MAPK1
SCHEMBL11609102 0.84 CA12 (0.40) MAPTKMT2ANPSR1MEN1MAPK1
SCHEMBL11609098 0.84 CA12 (0.40) MAPTKMT2ANPSR1MEN1MAPK1
SCHEMBL5239882 0.82 MAPT (0.34) MAPTKMT2ANPSR1MEN1MAPK1
SCHEMBL5239873 0.82 MAPT (0.34) MAPTKMT2ANPSR1MEN1MAPK1
SCHEMBL11607296 0.82 MAPT (0.34) MAPTKMT2ANPSR1MEN1MAPK1
SCHEMBL11607298 0.82 MAPT (0.34) MAPTKMT2ANPSR1MEN1MAPK1
SCHEMBL5239879 0.82 MAPT (0.34) MAPTKMT2ANPSR1MEN1MAPK1
SCHEMBL11610118 0.79 ALDH1A1 (0.51) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL11610123 0.79 ALDH1A1 (0.51) MAPTKMT2AMEN1MAPK1ALDH1A1

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-4075001-A 3-Aminoisothiazole derivatives as herbicides FMC CORPORATION (US) 1978-02-21 US disclosed