SCHEMBL5593871

SCHEMBL5593871

CC(C)CN(CCSCC=O)Cc1ccc(Cl)nc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
BCHE P06276 1/20 0.31
ATM Q13315 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
SCHEMBL12723280 0.83 ALDH1A1 (0.35) ALDH1A1MAPTBCHE
SCHEMBL1632771 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9319280 0.79 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2
SCHEMBL1633641 0.79 AOC3 (0.38) ALDH1A1MEN1KMT2AMAPT
SCHEMBL1633688 0.77 BCHE (0.39) ALDH1A1MAPTBCHE
SCHEMBL1634269 0.77 ALDH1A1 (0.39) ALDH1A1MAPTBCHE
SCHEMBL1634155 0.76 CHRNB2 (0.34) ALDH1A1MAPTSMN1; SMN2
SCHEMBL1634156 0.76 CHRNB2 (0.34) ALDH1A1MAPTSMN1; SMN2
SCHEMBL1634154 0.76 CHRNB2 (0.34) ALDH1A1MAPTSMN1; SMN2
SCHEMBL1633061 0.73 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2

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-2007085356-A2 INSECTICIDAL (HETEROARYLALKYL)ALKANE THIO AND OXO AMINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-08-02 WO disclosed