SCHEMBL21117560

SCHEMBL21117560

C=CC(=O)OCCNc1ccc(N)c(NC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
TSHR P16473 6/20 0.35
HPGD P15428 2/20 0.35
PTGER4 P35408 3/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
PRKCI P41743 1/20 0.32
MET P08581 3/20 0.31
HDAC1 Q13547 4/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 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
SCHEMBL19980988 0.84 THRB (0.43) THRBTSHRHPGDPTGER4ALDH1A1
SCHEMBL22648161 0.76 MAPT (0.48) THRBTSHRHPGDALDH1A1TP53
SCHEMBL21117538 0.75 BTK (0.37) THRBTSHRHPGDPTGER4ALDH1A1
SCHEMBL23409891 0.73 TSHR (0.44) THRBTSHRHPGDALDH1A1TP53
SCHEMBL27214690 0.73 THRB (0.48) THRBTSHRHPGDALDH1A1TP53
SCHEMBL20202290 0.73 THRB (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL988048 0.72 THRB (0.57) THRBTSHRHPGDALDH1A1TP53
SCHEMBL22648042 0.72 SMN1; SMN2 (0.45) THRBTSHRHPGDALDH1A1TP53
SCHEMBL24439640 0.72 THRB (0.40) THRBTSHRHPGDALDH1A1TP53
SCHEMBL28744595 0.72 THRB (0.38) THRBTSHRHPGDPTGER4ALDH1A1

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
EP-3008096-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed