SCHEMBL21098110

SCHEMBL21098110

CCOC(=O)CSC1CN(C)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 1/20 0.37
TRPA1 O75762 1/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ELANE P08246 1/20 0.34

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
SCHEMBL16416318 0.83 MGAM (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL31631313 0.81 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21798099 0.78 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3703287 0.78 KMT2A (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16414679 0.78 NR1H2 (0.46) ALDH1A1HPGDHSD17B10KMT2AMEN1
SCHEMBL21293583 0.76 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL17785167 0.76 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21798381 0.74 LMNA (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21798268 0.74 ALDH1A1 (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL25678365 0.72 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1

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-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed