SCHEMBL29620704

SCHEMBL29620704

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnc2)C2CC2)cc2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL24346300 1.00 POLB (0.35) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24346374 1.00 POLB (0.35) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345306 0.94 AR (0.32) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345309 0.94 AR (0.32) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL29620737 0.92 POLB (0.37) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345846 0.92 POLB (0.37) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345268 0.90 POLB (0.35) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL29620711 0.90 POLB (0.35) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345453 0.90 POLB (0.35) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345307 0.89 GABRA5 (0.31)

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-2022086840-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed