SCHEMBL21603853

SCHEMBL21603853

CC1CCc2sc(NC(=O)C3CC3)c(C(=O)N3CCC(C)C3)c2C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 4/20 0.55
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.45
FLT3 P36888 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RORC P51449 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR2 O60603 1/20 0.41
TSHR P16473 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL21603945 0.91 REV1 (0.50) REV1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL21597869 0.88 REV1 (0.48) REV1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL21604250 0.87 REV1 (0.45) REV1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL21597477 0.86 REV1 (0.44) REV1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL21603849 0.86 REV1 (0.44) REV1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL21604011 0.84 REV1 (0.45) REV1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL21597466 0.84 KDM4E (0.53) REV1KDM4EHSD17B10MAPTFLT3
SCHEMBL21603794 0.83 REV1 (0.49) REV1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL5455799 0.80 FLT3 (0.68) REV1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL21603968 0.79 KDM4E (0.71) REV1KDM4EHSD17B10ALDH1A1MAPT

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-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed