SCHEMBL28997343

SCHEMBL28997343

COc1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.48
MAPK8 P45983 1/20 0.46
HDAC1 Q13547 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GRM5 P41594 2/20 0.42
LCK P06239 2/20 0.41
PHGDH O43175 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 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
SCHEMBL29394473 0.87 LCK (0.47) RXFP1LCKNPC1RAB9AMEN1
SCHEMBL30258903 0.86 KMT2A (0.47) SORT1HDAC1GRM5NPC1RAB9A
SCHEMBL3427901 0.85 MAPK8 (0.47) SORT1MAPK8LCKNPC1RAB9A
SCHEMBL29510654 0.84 ALDH1A1 (0.51) SORT1RXFP1GRM5LCKMEN1
SCHEMBL1712579 0.84 ALDH1A1 (0.51) SORT1RXFP1GRM5LCKMEN1
SCHEMBL29497169 0.83 GRM5 (0.48) GRM5LCKNPC1RAB9AMEN1
SCHEMBL1192089 0.83 GRM5 (0.48) GRM5LCKNPC1RAB9AMEN1
SCHEMBL16874236 0.83 MAPK8 (0.42) SORT1MAPK8LCKNPC1RAB9A
SCHEMBL29607855 0.83 MAPK8 (0.42) SORT1MAPK8LCKNPC1RAB9A
SCHEMBL22842960 0.83 SORT1 (0.48) SORT1RXFP1GRM5NPC1RAB9A

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
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 CN disclosed