SCHEMBL17029294

SCHEMBL17029294

O=NC(=O)CN1CCN(CCO)CCN(CC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.37
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.34
SLC6A9 P48067 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL2733029 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL410464 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL1270440 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
Hydrochloric Acid SCHEMBL12465553 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL25761993 0.84 HSD17B10 (0.41) ALDH1A1HSD17B10KDM4ETSHRKMT2A
SCHEMBL23568185 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL23562049 0.80 HSD17B10 (0.41) ALDH1A1HSD17B10SLC6A9
SCHEMBL18371474 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4ETSHRKMT2A
SCHEMBL25762336 0.79 CHRM5 (0.41) HSD17B10SLC6A9
SCHEMBL25762634 0.79 CHRM5 (0.41) HSD17B10SLC6A9

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-9115172-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-08-25 US disclosed