SCHEMBL22815249

SCHEMBL22815249

O=C(NC(CO)CO)c1cc(NI)cc(C(=O)NC(CO)CO)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.36
TAS1R1 Q7RTX1 4/20 0.36
LMNA P02545 1/20 0.35
ROCK2 O75116 2/20 0.35
PRKACA P17612 2/20 0.35
IRAK1 P51617 2/20 0.35
PRKX P51817 2/20 0.35
ROCK1 Q13464 2/20 0.35
PRKG1 Q13976 2/20 0.35
PKN2 Q16513 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
RPS6KA5 O75582 1/20 0.35
RPS6KA4 O75676 1/20 0.35
MAPK1 P28482 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
SGK2 Q9HBY8 1/20 0.35
BACE1 P56817 1/20 0.34
MAPK14 Q16539 2/20 0.34
HTT P42858 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
SCHEMBL3403490 0.83 NQO2 (0.40) TAS1R3TAS1R1ROCK2PRKACAIRAK1
SCHEMBL22821577 0.82 TAS1R3 (0.39) TAS1R3TAS1R1LMNAROCK2PRKACA
SCHEMBL27409546 0.79 HTT (0.39) TAS1R3TAS1R1MAPK1BACE1HTT
SCHEMBL23897626 0.78 TAS1R3 (0.39) TAS1R3TAS1R1LMNABACE1HTT
SCHEMBL30358364 0.78 HTT (0.40) TAS1R3TAS1R1ROCK2PRKACAIRAK1
SCHEMBL4609315 0.78 TAS1R3 (0.38) TAS1R3TAS1R1LMNAROCK2PRKACA
SCHEMBL22815235 0.78 BACE1 (0.43) TAS1R3TAS1R1LMNAROCK2PRKACA
SCHEMBL4582151 0.77 NPC1 (0.39) TAS1R3TAS1R1LMNAMAPK1HTT
SCHEMBL8764309 0.76 TPMT (0.45) TAS1R3TAS1R1LMNAROCK2PRKACA
SCHEMBL8978043 0.76 PARP1 (0.38) TAS1R3TAS1R1LMNAROCK2PRKACA

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-2020256546-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2020-12-24 WO disclosed