SCHEMBL9709985

SCHEMBL9709985

CC1=CN(CC(=O)O)CS1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31
STAT3 P40763 1/20 0.31
GAA P10253 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
Hydrochloric Acid SCHEMBL6688587 0.63 HTT (0.33) LMNAALDH1A1KDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL6439106 0.63 HTT (0.33) LMNAALDH1A1KDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL6444205 0.63 HTT (0.33) LMNAALDH1A1KDM4EPOLBMAPT
SCHEMBL27910592 0.61
Bromide SCHEMBL2149556 0.60 LMNA (0.37) LMNAALDH1A1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL2150060 0.60 LMNA (0.37) LMNAALDH1A1KMT2AKDM4EPOLB
SCHEMBL27191543 0.60 HSD17B10 (0.34) LMNAALDH1A1KMT2AKDM4EPOLB
Bromide SCHEMBL8941015 0.60
Bromide SCHEMBL27779447 0.59 LMNA (0.36) LMNAALDH1A1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL27800771 0.59 LMNA (0.36) LMNAALDH1A1KMT2AKDM4EPOLB

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-1992020689-A1 ANTIBACTERIAL PENEM DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 1992-11-26 WO disclosed