SCHEMBL2878101

SCHEMBL2878101

CN(C)CCNC(=O)C(C)(C)CS

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 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
SCHEMBL2874926 0.85 DNM1 (0.43) DNM1CA1CA2CA12CA9
SCHEMBL931019 0.84 POLB (0.33) SMN1; SMN2ALDH1A1KMT2APOLBMEN1
SCHEMBL409080 0.82 DNM1 (0.44) DNM1CA1CA2CA12CA9
SCHEMBL24406352 0.81 DNM1 (0.40) DNM1CA1CA2CA12CA9
SCHEMBL26293210 0.80 DNM1 (0.42) DNM1CA1CA2CA12CA9
SCHEMBL930867 0.80 POLB (0.40) CA2CA12CA9SMN1; SMN2MAPK1
SCHEMBL10201790 0.79 DNM1 (0.44) DNM1CA1CA2CA12CA9
SCHEMBL930872 0.78 POLB (0.43) CA2CA12CA9SMN1; SMN2MAPK1
SCHEMBL17327619 0.78 DNM1 (0.38) DNM1CA1CA2CA12CA9
SCHEMBL14417063 0.78 ALDH1A1 (0.38) DNM1CA1CA2CA12CA9

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
EP-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 EP claimed
EP-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 EP disclosed