SCHEMBL11623906

SCHEMBL11623906

CN(C)C(=O)N(C)c1nnc([S])s1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10821178 0.77 CYP3A4 (0.37) CYP3A4LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL11194539 0.74 CYP3A4 (0.66) CYP3A4LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL10890132 0.74 RAB9A (0.39) CYP3A4LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL11812185 0.74 SMN1; SMN2 (0.41) CYP3A4LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL11420903 0.72
SCHEMBL11013664 0.72 CYP3A4 (0.36) CYP3A4LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL11814740 0.72 CYP3A4 (0.46) CYP3A4LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL11486924 0.70 CA1 (0.33) CYP3A4LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL11188203 0.70 CYP3A4 (0.45) CYP3A4LMNAKDM4EHSD17B10
SCHEMBL11562860 0.70 CYP3A4 (0.33) CYP3A4LMNAKDM4EHSD17B10

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-4073793-A HERBICIDES SCHERING AKTIENGESELLSCHAFT (DT) 1978-02-14 US disclosed