SCHEMBL11607296

SCHEMBL11607296

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL11607298 1.00 MAPT (0.34) MAPTKMT2AMEN1MAPK1NPSR1
SCHEMBL11608643 0.82 ALDH1A1 (0.32) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL11608639 0.82 ALDH1A1 (0.32) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL11610275 0.82 MAPT (0.35) MAPTKMT2AMEN1MAPK1NPSR1
SCHEMBL11610271 0.82 MAPT (0.35) MAPTKMT2AMEN1MAPK1NPSR1
SCHEMBL11604584 0.79 ALDH1A1 (0.36) MAPTALDH1A1HPGD
SCHEMBL11604586 0.79 ALDH1A1 (0.36) MAPTALDH1A1HPGD
SCHEMBL11609768 0.79 KMT2A (0.38) MAPTKMT2AMEN1MAPK1NPSR1
SCHEMBL11609098 0.74 CA12 (0.40) MAPTKMT2AMEN1MAPK1NPSR1
SCHEMBL11609102 0.74 CA12 (0.40) MAPTKMT2AMEN1MAPK1NPSR1

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